Handbook of Organic Solvent Properties

Handbook of organic solvent properties Ian M. Smallwood Consultant

A member of the Hodder Headline Group

LONDON SYDNEY AUCKLAND Copublished in the Americas by Halsted Press an imprint of John Wdey & Sons Inc. NEW YORK TORONTO

First published in Great Britain 1996 by Amold, a member of the Hodder Headline Group, 338 Euston Road, London NW1 3BH

Copublished in the Americas by Halsted Press an imprint of John Wley & Sons Inc., 605 Third Avenue, New York, NY 10158

CD 1996 Ian M. Smallwood All rights reserved. No part of this publication may be reproduced or transmitted in any form or by any means, elactronically or mechanically, including photocopying, recording or any information stomge or retrieval system, without either prior permission in writing from the publisher or a licence permitting restricted copying. In the United Kingdom Such licences are issued by the Copyright Licensing Agency: 90 Tottenham Court Road, London W1P 9HE. Whilst the advice and information in this book is believed to be true and accurate at the date of going to press, neither the author nor the publisher can accept any legal responsibilityof liability for any errors or omissions that may be made. British Library Cataloguing in Publication Data A catalogue record for this book is available from the British Library

Library of Congress Cataloging-in-PublicationData A catalog record for this book is available from the Library of Congress ISBN 0 340 64578 4 ISBN 0 470 23608 6 in the Americas only produced by Gray Publishing, Tunbridge Wells, Kent Printed in Great Britain by The Bath Press, Avon and bound by Hunter & Foulis Ltd, Edinburgh

c

It goes without saying that a solvent will be chosen to do its job effectively and economically, and it is usually possible to choose a short list of solvents which will do this without requiring a large amount of experimental work provided that reference books, setting out the properties of commonly used solvents, are available. Almost always the choice will lean towards a solvent that is already used on the site, or to one of which the researcher has experience. Today, however, there are other criteria than solvent power and volatility which need to be considered. Regulations covering the exposure to solvent vapours of makers of the product and its users are much stricter than in times past and, as knowledge of the potential dangers improve, are likely to become even stricter. No longer is it possible to protect the makers and users by improved ventilation to draw the solvent fumes away and to discharge them, heavily diluted, into the atmosphere. Solvents’ effects on both high- and low-level ozone in the atmosphere are now unacceptable; although it is not widely appreciated by the general public that solvents contribute a large part of the volatile organic compounds (VOCs) in European industrial countries, as much as the whole arisings from road transport uses. This has a significant influence on solvent choice, since any solvents that evaporate in industrial operations have either to be recaptured or destroyed rather than passing unchanged into the atmosphere. The economics of solvent choice may now allow an expensive solvent to be used many times over rather than a cheap one only once, always provided that the expensive one can

be recovered in a fit state for reuse. A low-cost solvent may be difficult to destroy by incineration in an environmentally acceptable way, perhaps because its molecule contains chlorine, nitrogen or sulphur so that its disposal cost may exceed its purchase cost. Another factor of considerable importance is the need to avoid changing the solvent to be used in a process. This even applies to the earliest stages of the development of a new product since the temptation to stay with a solvent that appears to be working well in the laboratory is great. The longer during the development stages that toxicity, environmental damage and overall economics are not considered in detail, the more difficult it is to make a change. Once production is started long and difficult negotiations with regulatory bodies, which often need to re-approve an altered process, may be involved and a change of solvent becomes almost impossible. All these considerations make the optimum selection of a solvent for a process a matter of importance. Fortunately much information is available in the literature concerning both the properties of the old solvents (e.g. benzene, carbon tetrachloride) which were often byproducts of other processes and of the newer ones (e.g. tetrahydrofuran, dimethylacetamide) which are purpose-made for their desirable solvent effects. This book is a collection of the physical properties of most commonly used solvents along with information on their behaviour in the environment during and after use and their health and fire hazards.

Name It cannot be stressed too strongly that the name of a solvent should be easily used and recognized by all, from the graduate in the research laboratory to the plant operator who may have difficulty in reading a language which is not his or her own. Once a name, or worse still a set of initials, has become standard usage on a site it is very difficult to make a change. The use, for instance, of IPA for isopropanol or isopropyl acetate of tri or TC for trichloroethylene or 1,1,1-trichloroethane can lead to errors that are very serious. Highly toxic benzene can all too easily be confused, in dealings with Europe, for benzin, a comparatively low toxicity material.

Hazchem code This is a code informing U.K. emergency services of the action to be taken when dealing with transport emergencies and can be a useful method of labelling storage tanks on a site where many different solvents are handled. It consists of a number and one or two letters (see Table 1). Explanation: It can be seen that breathing apparatus (BA) should be available in all cases. E after the code indicates that evacuation of people should be considered. ‘Contain’ means that any spillage should not enter water courses or drains. ‘Dilute’ means that a spillage should be washed away to drain with plenty of water.

Molecular weight On many occasions the effectiveness of a solvent will be compared on a molar rather than on a weight or volume basis. Purchases are, however, always by weight or by volume so that a low molecular weight solvent may have a significant cost advantage in use. On the other hand the low molecular weight of water,

Table 1 Hazchem codes Number

Firefighting medium

1 2 3 4

Water jets Water fog Foam Dry agent

Explosion Letter risk Personal protection P R S

(SI T (TI W X Y (Y) Z

(Z)

Yes No Yes Yes No No Yes No Yes Yes No No

BA + Full BA Full BA Gloves BA (fire only) BA + Gloves BA (fire only) BA + Full BA Full BA Gloves BA (fire only) BA Gloves BA (fire only)

+

+

+ + +

+ Gloves + Gloves + Gloves + Gloves

Action Dilute Dilute Dilute Dilute Dilute Dilute Contain Contain Contain Contain Contain Contain

present in all solvents at parts per million level at least, may be surprisingly damaging when processing, for instance, high molecular weight Grignard reagents or urethanes. When a solvent is used at a high mole fraction, as for instance in extractive distillation where solvent mole fractions of 0.9 are common, the cost-effectiveness of a low molecular weight solvent such as monoethylene glycol can be remarkable in comparison with some other entrainers.

Boiling point Many operations with solvents involve boiling the liquid solvent and this requires a heating medium (hot oil or steam) at a temperature 15 or 20°C above the solvent’s boiling point. It should be borne in mind that some solvents (e.g. DMF and DMSO) are not stable at their atmospheric boiling points and if necessary must be boiled at reduced pressure.

The normal factory steam pressure is about 10 bar and this should yield a temperature of 160°C at the point of use and boil a solvent at 140145°C. If a higher temperature than this is necessary hot oil, stable to 30O/32O0C, will provide heat usable at 270/280"C. A solvent in which an involatile solute is dissolved will boil at a higher temperature than the pure material. Typically, the boiling point will be raised from 140 to 150°C if the mole fraction of the solvent in the mixture is reduced by 20%. If solvents need to be separated by distillation it is not a reliablgguide to assume that because their boiling points are widely different the split will be easy, particularly when water may be present.

Freezing point Several solvents (e.g. dimethyl sulphoxide and cyclohexanol) are solid at ambient temperature and therefore need to be stored and handled in heated storage and pipelines and particularly with heated tank vents. For certain materials, such as benzene, that combine a high freezing point with high toxicity, the thawing of blocked pipelines can be a difficult and potentially dangerous task. It should be noted that some solvents even when solid give off an explosive vapour. Thus, the vapour pressure of solid benzene is given by loglo p (mmHg) = 9.85

- 2309/T

and the concentration of benzene at 0°C is 7600 ppm, which is well above its lower explosive limit. Air-cooled condensers can be severely damaged if some of their tubes become blocked while others are still handling hot vapour causing high stresses in the tube bundle. Drums of solid flammable solvents pose handling and emptying problems.

Specific gravity Storage tanks and their surrounding bunds are normally tested using water and are designed for

a liquid of density 1.0. While most solvents have specific gravities below this, the chlorinated solvents are much denser (e.g. perchloroethylene, specific gravity 1.62) and tanks may need to be derated if switched to storing such materials. For the same reason 200-litre drums of chlorinated solvents may be too heavy to handle, either manually or palletized on a fork-lift truck and existing pumps may be overloaded. On the other hand, a change to a less dense solvent may mean that a full tanker load of solvent cannot be accommodated in an existing tank built with a denser solvent in mind. When compositions are quoted as percentages it is important to know whether these are by mole, weight-by-weight (w/w), volume-by-volume (v/v) or weight-by-volume (w/v) and, in the last case to appreciate that the sum of the components will not add up to 100.

Liquid expansion coefficient Organic solvents have an expansion coefficient five to seven times greater than water. The increase in volume when a high boiling solvent is heated from cold to its boiling point is significant and has been known to cause damage in batch-still operations when sufficisnt ullage has not been allowed. When purchasing solvents by volume rather than weight it may be necessary to use temperature correction.

Flash point and explosive limits The lower explosive limit (LEL) of a solvent corresponds to the vapour concentration above the liquid at its flash point at which a source of ignition will set off an explosion. The upper explosive limit (UEL) is the vapour concentration that is just too rich to explode and an 'upper flash point' of a pure solvent can be calculated if the UEL and the Antoine constants are known. If the atmosphere should be enriched with oxygen it will form an explosive mixture over a wider range than that between LEL and UEL and if the 'air' is less than 8-10% oxygen, depending on the solvent, no explosion can take place at any

solvent content. It is common when the likely ambient temperature lies in the range between the two explosive limits to blanket the vapour space in a storage tank with inert gas. For safety a gas with about 3% oxygen is used, but it should be remembered that this 'nitrogen' is not free of oxygen so that solvents that form peroxides very readily (e.g. ethers) can be damaged if pure nitrogen is not used as the blanket over them. Testing for flash point is carried out using laboratory equipment of a range of designs. Those that are easier to use do not necessarily correspond to the standard test methods laid down by regulatory authorities, but are adequate for internal purposes on site. The standard methods are difficult to use for an inexperienced operator, but all common mistakes tend to give a test result lower than it should be and therefore err on the side of safety. The figures quoted here are ones using the tag closed cup method which tend to give rather lower results than the tag open cup and the Cleveland open cup methods. There is no reliable conversion factor between the various methods. Mixtures of two or more solvents may, because of the presence of azeotropes, have a lower flash point than their components have separately. When handling solvent-laden air, as is common in activated charcoal recovery plants, it is normal to operate with a flammable solvent content in the range of 2540% of LEL. If information on the flash point of a mixture is not available the great majority of solvents have an LEL of 10,000 ppm (1%) with a few in the range of 7000-10,000 ppm. The flash point of straight run hydrocarbon solvents (e.g. white spirit) can be estimated from their initial boiling point (IBP) flash point = 0.73 x IBP - 72.6 where both temperatures are in "C. Common practice in United States is to quote petroleum temperatures in "E

Autoignition temperature While generally a spark or flame is needed to set a flammable liquid on fire, almost all solvents can

be ignited by a very hot surface and some by heat sources that are commonly met on industrial sites such as steam mains, hot oil pipelines and items heated by electricity, including laboratory heating mantles. Steam pipes routinely have temperatures between 160 and 200°C and may be considerably hotter where high pressure steam is used. Hot oil reaches 300°C or a little higher. Solvents such as ether with an autoignition temperature of 160°C and dioxane (180°C) are therefore liable to catch fire if dripped on to a heating medium line. Their use on a site may require major changes to plant layout. Carbon disulphide has an autoignition temperature of 100°C and cannot safely be used except in a purpose-built plant. The glycol ethers also present a hazard when hot oil heating is used. Electrical apparatus that is correctly described as flameproof can reach the autoignition points of some solvents and a change of solvent in a manufacturingfacility should not take place without this being considered.

Electrical conductivity When solvents are moved in contact with another phase static electricity is generated. This can occur in a number of circumstances in industrial operations such as

1. A hydrocarbon/water mixture is pumped in a pipe. 2. A solvent is stirred or pumped in contact with a powder. 3. A solvent is sprayed into air. 4. A solvent is contacted with an immiscible liquid (e.g. water) in an agitator. If the static produces a spark which contains enough energy and if the vapour phase in contact with the liquid is between its LEL and UEL an explosion may occur. It is also possible that a fine mist of flammable liquid below its LEL can be ignited by a static spark. The chance of such an explosion depends largely on the electrical conductivity of the solvent (see also the section on Dipole moment) since a

high conductivity allows the charge to leak away. Some solvents have naturally high conductivities and a few develop high conductivity over time in storage, although the latter cannot be relied on as a safety measure. It is also possible to add a proprietary anti-static additive at a level of about 0.15%. Small impurities of alcohols in esters or of inorganic salts can also increase conductivity by orders of magnitude. Freshly distilled water has a conductance of 5.0 x lo-* siemen, but this rapidly increases as it picks up CO2 from the air. The conductivity limit that is usually regarded as safe is 1.0 x 10-l' siemen/cm (100 picosiemen/cm) and above this level it is not necessary to earth the equipment handling the solvent. Resistivity, the reciprocal of conductivity, is also often quoted and the danger limit in various resistivity units is

100 megohm metre (Ma m) 1.0x megohm cm (MR cm) 1.0x ohm cm (acm). In general, all hydrocarbons and ethers (but not glycol ethers) have conductivities of 1 picosiemen/cm or less and are liable to generate static electricity. The higher molecular weight esters are at or near the limit. The unit used in the tables is siemen/cm. The minimum ignition energy of the spark required to cause an ignition for most solvents lies in the range of 0.2-1.5mJ, but carbon disulphide which has a very low conductivity (1.0x siemen/cm) also has a very low minimum ignition energy (about 0.015mJ) and a very wide range between LEL and UEL. It thus represents an exceptionally high electrostatic hazard.

Immediate danger to life and health (IDLH) The IDLH value represents a maximum vapour concentration from which a person can escape within 30 min without irreversible health damage or effects that would impair the ability to escape. Such information is clearly important in

rescues and emergencies. It should be compared with the LEL and the saturated vapour concentration at the ambient temperature. Since a spark might cause an explosion in an atmosphere within the flammable range even if the IDLH is greater than the LEL other considerations than the IDLH may prohibit entering a solvent-laden atmosphere.

Occupational exposure standard

(OW An OES is the exposure to a solvent in air at which there is no indication that injury is caused to people, even if it takes place on a day-after-day basis. The long-term exposure limit to solvent vapours sets a limit for the average exposure over an 8-h working day. It applies to workers in a plant and not to people living in the neighbourhood. The short-term exposure limit (STEL) also applies to some solvents and refers to an average over a peak period of 15 min. This is meant for the type of exposure that occurs when cleaning a filter press or doing other regular, but short-term tasks. The average over the peak would be counted as part of the 8-h exposure. The limits vary from country to country and are constantly being reviewed in the light of experience. The figures quoted in this book are those applicable in the U.K. in 1996 and are expressed in ppm. Where a British figure is not available U.S. TLV-TWA figures are used.

Odour threshold This is extremely subjective and hard to define accurately. In one reported test 10% of those taking part could detect an odour at 1 ppm while 50% could do so at 25 ppm. At 500 ppm there was still 10% of those exposed who could not detect it. There is further a difference between identifying a smell and just detecting it so that complaints of an odour are hard to refute reliably and smell cannot be relied upon as a warning of potentially dangerous exposure. This is particularlytrue in the

case of long periods of exposure since the nose becomes desensitized. The figures quoted here are for concentrations where all the people exposed could detect, although not identify, an odour. Solvents are not, as a class, very odiferous materials and few can be detected at much below a 1 ppm level unlike mercaptans (which can be smelt at the low ppb level), sulphides and aldehydes. The latter are often detectable in solvents that have been recovered and recycled and make such recovered solvents unacceptable for use in household formulations. Some solvents, such as dimethylformamide (DMF), have very low odours themselves but contain trace quantities of impurity (dimethylamine in the case of DMF) which are much easier to detect. Others, e.g. dimethylsulfoxide, produce very unpleasant smells when they are degraded biologically so that even small quantities getting into an aqueous effluent are unacceptable.

Saturated vapour concentration (SVCI The concentration of vapour in equilibrium with liquid (or solid) solvent is important for a number of reasons: 1. Fire and explosion. 2. Toxicity. 3. Smell. 4. Loss in handling. Vapour concentration can be expressed in mgm/m3, ppm or %. The former lends itself to ventilation calculations where the quantity of solvent being evaporated into a body of air is known. Both ppm and percentage figures are based on volumes of solvent vapour in air and the conversion is given by ppm = mgm/m3 x 24.04/solvent molecular weight.

All the SVC quoted here are at 21°C (equivalent to 70°F). 1. Fire and explosion. The concentration leading to a fire hazard is very much greater than

that leading to a health hazard. It is unusual for someone exposed to a fire hazard not to be able to detect solvent odour by nose although, since all solvents are denser than air, the concentration at floor level may be very much greater than that at head height. 2. Toxicity. This is discussed elsewhere. Above the normally quoted health levels asphyxiation can take place at an SVC of about 150,000 ppm. A high concentration of inert gas (or C02) used for blanketing the vapour space in a tank can also be dangerous in this way. 3. Smell. This is discussed in the section on Odour threshold. 4. Loss in handling. Every time a bulk liquid is transferred between road tanker and storage tank or between storage and process there is a potential discharge of vapour. In addition, solvent vapours are discharged when the storage tank ‘breathes’ with the daily change of temperature. Increasingly it is becoming unacceptable that this discharge goes directly into the atmosphere and the alternatives are to return the vapour to the vapour space of the vessel from which the liquid comes or to pass the solvent-rich ventings to recovery or destruction. The linking of vents and recovery can become very complicated if more than one solvent is involved in the system and destruction of the solvent in the ventings before their discharge to atmosphere is the most common solution. The loss of solvent is no greater than it would be if the ventings were discharged directly but, to design a destruction plant, the amount of discharge must be known. The most volatile solvents (pentane, ether, dichloromethane) can lose 0.3% of the liquid transferred on each occasion and in a good recovery system the handling loss can be the largest contribution to the total losses of solvent.

Vapour density relative to air This is the ratio between the molecular weight of the solvent and the molecular weight of air. Apart from methanol which has the lowest vapour density, all organic solvents are much heavier than air.

This means that spillages, whether on a small scale in the laboratory or on a large scale in an industrial plant, will give rise to vapour at a low level. Ventilation should therefore be designed to draw from this level and tests for flammable or toxic concentrations should be made at a low point. Heavy vapours can spread for long distances in ditches, pipe tracks and drainage pipes and can accumulate in bunded areas, particularly if the bund walls are high. The manual clearing of sludges and deposits in the bottoms of storage tanks which have contained low-flash point solvents is particularly hazardous if low-level ventilation is not provided.

Photochemical ozone creation potential (POCP) POCP is an arbitrary scale of atmospheric chemical activity based on ethylene at 100 and the very stable organics at 0. The ‘natural’ products such as alpha-pinene and dipentene have a POCP of about 50. A significantly large contribution to the total of volatile organic compounds (VOCs) in industrial countries is derived from the use of solvents. Since VOCs are an essential ingredient of smog both legislation and public opinion will lead to the choice of solvents which have a low POCF! This is particularly true for paints and for domestic uses where recapture and recovery of the used solvent or its destruction before discharge are impractical. Since there is little correlation between the toxicity, evaporation rate, solvent power and POCP of solvents this entails a further independent restriction to the choice of solvent for domestic purposes. The POCP should not be confused with the ozone depletion potential (ODP) which depends on the extreme stability of various halogenated solvents in the atmosphere, but, because POCP is a measure of reactivity in the complex chemistry of the lowest level of the atmosphere, solvents with a high ODP (see Table 2) do have a very low POCI?

Table 2

ODP

POCP CFCll3 Methylene chloride l,l,l-Trichloroethane Chloroform Perchloroethylene Carbon tetrachloride Trichloroethylene

0.80 <0.05 0.15

0.9 0.1 1.o 0.5

0 1.04 0

6.6

The class of solvents with particularly high POCP is made up off aromatic hydrocarbonswith methyl sidechains such as trimethyl benzenes and the xylenes. Legislation has restricted their use in Los Angeles for many years and their widespread use in paint formulations is qteadily being reduced. Developments in the resins used in paints will reduce the proportion of solvents and demand increased use of more sophisticated solvents and of water in their place. If such improvements cannot replace, say, xylenes, careful fractionation can, at a price, reduce the POCP as Table 3 shows. Since rn-xylene is usually the most common isomer in solvent C8 aromatics, the improvement may be considerable. Table 3

POCP Ethylbenzene o-xylene p-xylene m-xylene

59.3 66.6 88.8 99.3

Methyl sidechains on paraffins or naphthenes do not have the same harmful effect. The replacement of acetone (POCP 17.8) by methyl acetate (POCP 2.5) or the use of isobutyl acetate (POCP 33.2) for MlBK (POCP 63.3) is typical of what may be achieved in reducing the adverse impact of solvents on the environment.

Miscibility with water All solvents are at least partially miscible with water and most of those with a polarity of more

than 36 (on a scale of water = 100) are wholly so. Moisture levels as low as 200 ppm can easily be measured by the Karl Fischer method. Only solvents with a very low solubility in water and densities of less than 1.00 should be tested by the Dean and Stark method. The requirementsfor dryness in a solvent range from the low ppm for a Grignard reagent solvent to 2 or 3% for cellulose paint thinners or gun washes. While most can be dried by various forms of distillation, there are also many solid dessicants using chemisorption or hydration effects, although none of these dessicants are general purpose. Molecular sieves are very effective and are suitable to dry the great majority of solvents. However, unless regeneration plant is used to recover the molecular sieve, their cost is about €10,000/ tonne of water removed. Many solvents are hygroscopic and if moisture is to be kept at a very low level, the vents of storage tanks should be fitted with silica gel or molecular sieve-filled canisters. For the removal of small amounts of solvents from water see the section on log activated carbon partition. Knowledge of the solubility of solvents in water is useful in predicting their behaviour in several fields. Highly water-soluble solvents carry materials and migrate themselves into the biosphere.

They are both more easily leached from soil and less easily volatilized into air. The large number of solvents that are not fully miscible with water at 25°C is a measure of the high difference between the polarity of water and that of many organic solvents. Table 4 lists a number of other solvent pairs that have an upper critical solution temperature at a temperature within normal industrial operating range. The polarity of the non-polar solvents are all less than 6.5 (on the scale of water = 1001, while the polar solvents have a polarity of 30 or more.

loglo activated carbon partition While aqueous effluents containing highly volatile solvents can be stripped using air or steam preparatory to being discharged, the less volatile and particularly those that are polar, are difficult to strip and are more economically removed from dilute solution using activated carbon- or ionexchange resins. To get an idea of the effectiveness of activated carbon adsorption, one can use the following equation as a preliminary guide, although an experiment using the grade of carbon to be used is vital to get a sound design

Table 4 Upper critical solution temperature (“C) Methanol Ethanol EGME

nC5

nC6

nC7

nCs

14.8 <-78

35 -65 28 -32 12 -39 3 68 -4 69 20 -25 77 92 51

51 -60 49 -12 25 -28 4 73 -8 70 18 -22 85 94 60

67

EEE Carbitol Acetone Acetophenone DMF Acetic acid Aniline Nitrobenzene Pyridine Acetonitrile Furfurill Phenol

63 72 25 60 57

nC9

nClo

c6

CSz

2,2,4-TMP

76 -15

45 -16

36 -24 25

42.5 -70 40 -15 28 -34 14

-60

<-1 -6

-6 10

19 72 20

29 75 22

41 78 24

92

100

108

-40

3.9

-29 -16 50 7 30 -4 -36 77 66

7 80 29 -15 81 101

x 1 PAC=-.m c xlm is the weight of adsorbate in mg per kg of charcoal, c is the concentration in ppb of the solute remaining in the effluent, and PACis the activated charcoal partition coefficient. The values of PACare usually quoted in logarithms to the base 10. For a rough preliminary estimate

where S is the solubility of the solvent in water in ppb. This relationship is not valid if the solute is wholly water miscible, and clearly shows that the more water-soluble a solvent is the less easy it is to remove it from water by adsorption. The partition coefficient is affected by temperature, pH and the type of activated charcoal used.

Loglo partition between octanol and water A great deal of work on the partition of solutes between water and other solvents has been done by Pomona College. The main solvent used is noctanol giving the relationship P,w

=

concentration of solute in n-octanol concentration of solute in water

Originally the work was done as a guide to the biological effect of the solute. A high value of P (i.e. log P > 1.51, corresponding to a low concentration in water, means that the material in solution cannot easily invade living organisms and therefore has a low biological effect. On the other hand, a negative value of log P indicates a very hydrophilic compound, difficult to extract from water using any third solvent, not just noctanol. The values of Po, are expressed as logarithms to base 10 and the logarithms have a range of -1.93 to +4.15, a range of a million. A reasonable estimate for P, if experimental results are not available, is

log Pow = 6.75 - 0.75 log S where S is the solubility of the solute in water in PPb.

Oxygen demand The biodegradability of solvents to the simplest molecules, primarily CO2 and water in a given time (here the quoted biological oxygen demand figure is for five days except for a few instances where 10 days are quoted) vary widely and the correlation between laboratory and plant-scale results for the amount of oxygen removed from the aqueous phase is not very reliable. The theoretical oxygen demand (ThOD), is solely the oxygen needed on a stochiometric basis to oxidize the solvent completely, and is thus the worst possible effect, but may be useful if no laboratory results are available. In this book the values of ThOD do not include for the oxidation of the nitrogen where it exists in the solvent's molecule. This tends to be a slow reaction and seldom is represented in the five-day BOD test. BOD depends on the effectiveness of the organisms that may be present and which may be killed by a change of the solvent in the effluent and starved to death by a lack of the solvent to which it is accustomed. Results for BOD can be measured over a time period measured in days, usually five or 10, and is clearly a time-consuming test. A high BOD solvent sparingly miscible in water and with no solvent-rich phase present to replenish the aqueous phase may be less harmful than a low BOD solvent that is readily soluble in water.

Antoine vapour pressure equation There is one very widely used equation for estimating the vapour pressure of organic liquids, the Antoine equation lOgP= A--

B C+T

where A , B and C are constants.

P is the vapour pressure of the solvent at temperature T which can be expressed in a number of pressure units which, of course, refer to different values of A. It is therefore most important to know what pressure units are in use when getting values of the constants from the literature. In this book logarithms to base 10, mmHg and "C are used.

knowledge of its solubility parameter can be of considerable assistance. A resin, a polymer or any other non-electrolyte is likely to be most easily soluble in a solvent if the solubility parameters of the solvent and the solute are similar. It follows that two solvents with similar parameters will have similar dissolving powers for a given resin

S=[L+)

112

Cox chart equation As an alternative to using the Antoine equation it is possible to employ an equation' based on the Cox chart log P = A -

B T +230

These constants are not the same as the Antoine ones although they tend to coincide when C = 230. In this book the same units for P and T are used and the logarithms are also to base 10. Since another correlation gives a value for C of

C = 2 3 9 - 0.19Tb A and B from the two systems will be close together for solvents boiling near 50°C. Since both Cox and Antoine equations are based on the ClausiusXlaypeyron equation the values for B are related to the latent heat of the solvent. The Cox equation lends itself to calculating relative volatilities

s = A1 - 4 - 4-4

log a* = log-

4

230+ T

and the sensitivity of the value of the relative volatility to temperature tends to be high when the difference in latent heats is high. Alcohols tend to have higher molal latent heats than other groups of solvents and therefore to have large changes in a* with changes of temperature and pressure.

Solubr'lity parameter

03)

In choosing a solvent for a particular duty,

where L is the molal latent heat of the solvent, T the absolute temperature and V its molar volume. The value of is normally expressed in units of call' cm-3/2. The solubility parameter is a blendable property so its value for a blend can be calculated and a blend of solvents can be made to suit the solute more closely if necessary. While the value of Scan be calculated knowing only readily available information, it can also be found experimentally for hydrocarbons and chlorinated hydrocarbons by measuring the Kauri Butanol number (KB) since

KB = 5 0 6 - 3 4 5 (for KB > 35). Just as a solute with a similar value of 6 to the solvent will dissolve so two solvents of similar S will be miscible, The limit of difference beyond which total miscibility will not be achieved at 2 9 8 K is about 2.5, but as the values of UCST show (Miscibility with water section), at higher temperature miscibility becomes easier.

Dipole moment The figures quoted here are for liquids at 2 9 8 K. The dipole moment is proportional to 1/T where T is the absolute temperature. Along with a number of other properties, dipole moment contributes to the 'polarity' of a solvent.

Dielectric constant The dielectric constant of a solvent reflects its molecular symmetry and is comparatively easy to

measure. It can thus be used to calculate molar polarization and, from it, dipole moment (PI.

An approximate relationship between the two scales is

p=- E-1 V &+2

B = 15lE

where E is the dielectric constant and V the molecuIar vol ume. Dielectric constant is also a factor in considering a solvent's electrostatic hazard. A solvent's relaxation time, which is a measure of the rate at which an electrostatic charge will decay, is a product of dielectric constant and resistivity. The higher this product the higher the relaxation time. However, the range of values of the dielectric constant is about 2-180, which is a small range compared to the range of resistivity (see Electrical conductivity section). Nonetheless if a solvent is being changed in an existing process the possible increased risk of electrostatic problems should not be ignored.

Polarity Polarity is a widely discussed and quoted property of a solvent but it is used loosely to cover a number of different effects, including those covered by dielectric constant and dipole. The figures quoted here are comprehensively discussed in reference 14 of the bibliography.

Evaporation time There is no satisfactory method of calculating the rate of evaporation of a solvent, since it depends on the equipment in which evaporation takes place as well as a number of properties of the solvent. There are two widely used standard solvents diethyl ether and butyl acetate - against which other solvents' evaporation times can be compared. Somewhat confusingly, a low rate of evaporation on the ether scale corresponds to a high number (i.e. the time it takes to evaporate is many times the time ether takes), while on the butyl acetate scale a low rate of evaporationcorresponds to a low number (i.e. the rate of evaporation is lower than that of butyl acetate).

where B and E are the butyl acetate and ether numbers.

Nett heat of combustion For the eventual disposal of used solvent, whether in liquid or vapour form, the preferred method is usually burning. This may involve using the solvent as a fuel, possibly in a cement or lime kiln in which it may be used as a replacement for a more conventional, and more costly fuel. Alternatively, to reduce VOCs to a very low level in solvent-laden air, combustion in an incinerator, with or without added fuel, may be used. A less common alternative is oxidation in the liquid phase which also gives rise to heat. In all cases the heat of combustion of the solvent to be destroyed needs to be known. Since in almost every case the water generated in the destruction will be discharged as vapour, the lower or nett calorific value is the appropriate one to use and it is the one quoted here.

Heat of fusion It may be theoretically important to know how much heat will be required to thaw out the solvent should it freeze, but the most frequent use of the heat of fusion is to estimate the freezing point depression when the solvent dissolves a solute. The freezing point depression per gram-mole in 100 grams of solvent can be adequately calculated up to a mole fraction of solute of 0.10 by the expression

R T~ lOOH where R is the gas constant (1.987 cal/g units), H is the latent heat of fusion in cal/g and Tis the freezing point of the pure solvent in K.

For some commonly used solvents with high melting points the freezing point depression coefficients are listed below. Acetic acid Benzene &Butanol Cyclohexane Cyclohexanol Dimethylsulphoxide 1,4-Dioxane Nitrobenzene Phenol Sulfolane Water

39.0 49.0 80.6 208 420 40.9 46 70 74 64 1 18.6

Azeotropes The presence of an azeotrope between solvent components can have three important effects:

1. It makes the recovery by distillation of one of the solvents to a high degree of purity and a high yield difficult. Azeotropic mixtures should therefore be avoided if possible in pharmaceutical productionwhere recovery is important. 2. It increases the rate of evaporation in the great majority of cases since the azeotrope is usually a low boiling one in which the boiling point of the azeotrope is below that of both pure components. 3. It decreases the flash point of the mixture and can therefore have an important influence on safety when the solvent mixture may be used at a temperature about ambient. It is important, therefore, to know when an azeotrope exists and also when its absence is confirmed. In this book binary azeotropes mostly drawn from Horsley's Azeotropic Data are listed. There are a great number of possible ternary or more complex mixtures of solvents that are used, and some ternary azeotropes have been recorded. It is extremely rare for a ternary azeotrope to occur if all three binary mixtures which its components can form are not also azeotropic. In the absence of information on the existence of an azeotrope in a binary mixture of solvents it

is possible to estimate whether an azeotrope will exist if activity coefficients at infinite dilution ( f ) and pure vapour pressures of the solvents (P) are available. In an ideal vapour-liquid system of two solvents the relative volatility (a*)is equal to the ratio of the vapour pressure of the components and is not affected by composition P1/Pp = a*

An azeotrope occurs in a non-ideal system when the vapour phase and the liquid phase in equilibrium with it have the same composition

a=--~14- a a * = 1 , 0 Y2p2 Y2 The values of yvary throughout the concentration range. By definition n = 1.0 for pure component 1 at the composition at which component 2 is infinitely dilute and has an activity coefficient y; and vice versa. A low-boiling azeotrope (much the more common) will occur if y: > a*, while a high-boiling azeotrope will occur if l/a* > yy.

Activity coefficients Activity coefficients are described as a measure of the relative escaping tendency of a compound. This may be escape from a liquid phase to a vapour phase (which can also be quantified by Henry's law coefficient) or from one liquid phase to another, which is the basis of liquid-liquid extraction. The data sheets list the experimental values of f which are obtained by a variety of methods. These can show an appreciable difference one from another, particularly when the mixtures they refer to are very non-ideal with values of f of lo3 or more. There is also a considerabletemperature effect on values of y The two major sources of the values listed here are references 2a and 2c. Those from 2a, which have reference numbers 1/1 to 8/381 are derived from distillation data and are at temperatures near

boiling point, although these may be at pressures lower than atmospheric for high boiling or unstable solvents. Those from 2c are measured at 25°C and have reference numbers commencing 1X. The latter are more useful for liquid-liquid extraction calculations. If no experimental results are available for particular soluteholvent mixtures UNIFAC provides a method of calculating u‘ values.

Partition coefficient (K) There are an almost unlimited number of systems which can involve solvent extraction, but those listed here are restricted to the ones which have water as phase 1, an extraction solvent, sparingly soluble with water, as phase 2 and a solute partitioned between the two phases.

K=

molar concentration of solute in water molar concentration of solute in X

If the objective is to remove the solute from phase 2 and concentrate it in phase 1, K needs to be as high as possible and a target minimum of 5.0 is appropriate. On the other hand, if the solute needs to be removed from the water phase, K should be 0.2 or less. The values of partition coefficient listed are for 25°C and the most dilute solutions for which information was available. K is temperature dependent and tends to 1.Oas the concentrations of solute in the two phases increase. Since the two phases each containing solute are in equilibrium, the product of the mole fraction of solute and its activity coefficient in each phase is the same. Hence

For dilute solutions the activity coefficients can be used to assess the likely performance of the system. Thus for the system water (1)-heptane (2)MEK (solute)

This would indicate that it was possible to remove MEK from water using heptane as an extraction solvent. The references which give the source of the information are from three sources in the bibliography. These are:

1. CEH: Perry’s Chemical Engineering Handbook 2b. V2, 3 and 4: Dechema Liquidlliquid Data Collection 17 P: Pomona College Collection.

Henry’s law constant (HI Particularly in dilute solutions in water, solvents tend to behave in a very non-ideal way and their equilibrium vapour pressure has to be calculated either using an activity coefficient or Henry’s law constant (HI. The literature contains compilations of the latter for aqueous solutions but they are reported in several different units, all of which are a pressure divided by a concentration, Le. H = P/x, where P is the vapour pressure of the pure solvent at the solution temperature and x its concentration in the liquid phase. In this book H is expressed in atmospheres divided by mole fractions. Alternative units are

1. Atmospheres per g-mole of solvent per 100 m3 of water. Convert by multiplying by 106/18. 2. Kilopascals per g-mole of solvent per 100 m3 of water. Convert by multiplying by 548. 3. Atmospheres per Ib-mole per ft3. Convert by multiplying by 6.25 x The value of H increases with temperature and the figures here are for the system temperature of 25°C. Figures for H quoted in the literature for apparently identical systems vary widely, sometimes by an order of magnitude or more, but, if the information is available there are two ways of checking it.

1. Since H is only suitable for use in dilute solutions

H

= Pf

If therefore figures for the activity coefficient at infinite dilution and 25°C and the Antoine coefficients are available, the value of H can be compared. 2. Many solvents, particularly hydrocarbons, chlorinated, and the higher molecular weight oxygenated ones, are so insoluble in water that their aqueous solutions are always dilute. At saturation, therefore H = PIS where S is the solubility of the solvent in water expressed as a mole fraction. High values of H (e.g. > 50) indicate a dis solved solvent that can be stripped easily either

by air or steam. Such a solvent will also evaporate quickly from water. H can also be used to calculate the composition of solvent-laden air in contact with water at levels appropriate to TLV calculations thus

C = (TLV in ppm).(mol. wt of solvent) Ha18

where C is the concentration of solvent in water which corresponds to the TLV. Similarly the flash point of a dilute aqueous solution can be seen to be above or below 25°C given a value for the LEL of the pure solvent.

Introduction

vii

Key to tables

ix

Section I Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-Trimethyl pentane Cyclohexane Benzene Toluene Ethylbenzene Xylene (mixed isomers) C9 Aromatics TetraIin

1 3 7 11 15 19 23 27 31 35 39 43 47 51 55

Section 2 Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alcohol i-Amyl alcohol Cyclohexanol n-Octanol Ethanediol Diethylene glycol 1,2-PropanedioI

59 61 65 69 73 77 81 85 89 93 97 101 105 109 113

Section 3 Glycol ethers Propylene glycol methyl ether Ethylene glycol methyl ether Ethylene glycol ethyl ether Ethylene glycol monobutyl ether

117 119 123 127 131

Section 4 Chlorinated solvents Methylene chloride Chloroform Carbon tetrachloride 1,2-DichIoroethane

135 137 141 145 149

1,I ,1-Trichloroethane Trichloroethylene Perchloroethylene Monochlorobenzene

153 157 161 165

Section 5 Ketones Acetone Methyl ethyl ketone Methyl isobutyl ketone Cyclohexanone n-Methyl-2-pyrrolidone Acetophenone

169 171 175 179 183 187 191

Section 6 Ethers Diethyl ether Diisopropyl ether Dibutyl ether Methyl tert butyl ether 1,4-Dioxane Tetrahydrofuran

195 197 201 205 209 213 217

Section 7 Esters Methyl acetate Ethyl acetate Isopropyl acetate n-Butyl acetate Cellosolve acetate

22 1 223 227 23 1 235 239

Section 8 Miscellaneous solvents Dimethylformamide Dimethylacetamide Dimethylsulphoxide Sulfolane Carbon disulphide Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

243 245 249 2 53 257 261 265 269 273 277 281 285 289 293 297 301

Bibliography

305

Hydrocarbons

n-Pentane Alternative names Below 40°C, petroleum ether Reference codes CAS number UN number

109 66 0 1265

Hazchem code EPA code

3Y

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

72 C5H12 36 -129 0.626

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (20°C)

1.52

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-40 260 2E-10

Lower explosive limit (ppm) Upper explosive limit (ppm)

15000 78000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

5000 600 750 900

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

768000 2.5 442 41

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

16 0.235 1.358

38E-4 120E-4 +3.23 3.56

Vapour pressure equation constants (Log1O,mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

7.0 0 1.844 0.9

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molrC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

6120 776 40.32 3.31 470 2008 3.825 3.316 115.0

6.87632 1075.780 233.205 6.82847 1050.1 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

28 1.0 13

Hydrocarbons

~~

Azeotrope X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics TetraIin Alcohols Methanol Ethanol n-Propanol i- Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

"C

WIW

Reference

Solute

Reference

-

-

-

-

None None

0.9 0.8 1.2

6d123 6a1127 1x311149

None None None

9742 9741

1.1 1.6 3.5

6all19 6a118 6d160

8 31 95 34 None 94 35 None None None

2055 4062 6484 6370

19.0 13.6

2e/l32 2d375

8.5

2b1169

8.7

2ff529

2.4

6a1100

8327 8228

\one Vone

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,1-TCA TCE Perk. MCB Hydrocarbons

51 3 lone

1571 1482

Partition coefficient

Reference

~~

keotrope :% Solute Yetones ketone M EK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF

"C

Reference

CW/W

30

32

5368

32

33

8296

Vone

Esters 78 Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatr

34

5536

89 36 None

1256 3156

None

9740

Solute Y

Reference

7.1 5.3

3+4/190 1x/3/1149

4.8 2.2

1x/3/1149 1x/3/1149

22.0

6aI102

Partition coefficient

Reference

0.91

vu475

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

90

35

2792

99

35

462

Hydrocarbons

b

n-Hexane Alternative names 62/68 Hexane Reference codes CAS number UN number

110 543 1208

Hazchem code EPA code

3YE

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

86 C6Hl4 69 -95 0.659

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.3 18.4 0.31 1.372

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-22 225 1.0E-16

Lower explosive limit (ppm) Upper explosive limit (ppm)

12000 75000

5000 20

Vapour concentration @21°C ppm Vapour density {relative to air) Vapour pressure @21°C mmHg POCP

170000 2.99 128 42

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

9.5E-4 110E-4 +3.80 0.04 (7) 3.53

Vapour pressure equation constants (Log1o. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

6.9 0 1.9 0.9

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

6880 921 42.0 3.03 507.5 3119 4.50 3.86 130.5

6.91058 1189.64 226.28 6.9386 1212.1 Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

30 1.4 8.4

Hydrocarbons

Azeotrope

K% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics TetraIin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Hydrocarbons

"C

Reference

Solute f

-

-

-

None None

12133 12134

0.9 0.5

6a1604 6a16 13

None

11690 10861 12131

1.1 1.4 1.4

6al273 6d535 6d59 1

1.5

6a1605

39.1 12.3 22.4 10.5 11.2 13 9.5

2d253 2d453 2d584 2b197 2b1200 2b1320 2 bl2 50

6.0

2fl532

575.0

2bl295

1.3 1.2

6d426 6d403

1.3 1.5 1.4 1.8

64473 64463 6a1453 6d529

WIW

None

None None None

72 79 96 77 97 98 92 None None None

50 59 66 63 68 68 67

None 66 95

None 16 60 None None 67 71 None None None

2087 4106 6506 6390 8163 8354 8242 9758 9845

8442

1575 1495 2730b 2330 22 17a 10519

0.9

Reference 6a1123

-

Partition coefficient

Reference

-

38.1 0.74 1.00 0.04

P383 V21577 VU6 16 V31121

Azeotrope Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane TH F

X% wlw

."C

41 71

50 64

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

5385 7376

Solute f

Reference

4.2 3.5

3+41225 3+4/302

17.6 None 47 67 98 50

Esters Me acetate 39 Et acetate 62 i-Propyl acetate 91 n-Butyl acetate Cellosolve acetatc Miscellaneous DMF DMAc DMSO Sulfolane

Reference

7588 9297

1Xl311240 3+4/472 1Xl311240

2.6

515 14

6d332 12

None 95 68 None None

1274 3184 11151 10708

None 97 69 72 52

6284 2800

62

VU487 V3126

3bl451

1.2 3.0 1.6

None None

94

0.8 0.13

Reference

12128

60 63 52 65 69

Partition coefficient

0.16

24.8

vu547

9.2

V2/282

1.91

P1659

1~/3/12,0

13.4 11.6 14.5

51152 6al580 6d532

7.4

6a/5 10

570

fydrocarbons

n-Heptane Alternative names Reference codes CAS number UN number

142 82 5 1206

Hazchem code EPA code

3YE

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

100 C7Hl6 98 -91 0.664

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive Index (25°C)

1.3 19.3 0.41 1.385

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-4 215 1.0E-16

Lower explosive limit (ppm) Upper explosive limit (ppm)

10000 70000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

4250 400 500 150

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

55000 3.57 40 53

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

3E-4 lOOE-4 +3.5 0(7) 3.52

Vapour pressure equation constants (Log1o. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

7.5 0.0 1.924 1.2

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/"C) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7560 1067 52 2.74 540 3378 5.17 4.40 147.5

6.89386 1264.370 216.64 7.04265 1365.1 Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

31 3.0 3.3

Hydrocarbons

Azeotrope X%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol iPropano I n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2- Propanedio1 Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l,l-TCA TCE Perk. MCB Hydrocarbons

"C

WIW

Reference

None

12133

-

-

None None 0.7 80 None None None

Solute f' 1.3 0.9

-

Reference 6al127 6al604

-

1.o

6bl196

13809 11697 10876 13027 13807 13808

1.0 1.1 1.3 1.4 1.7 1.4 1.3

6bl197 6d304 6bl123 6bll69 6d489 6d497 6bl200

18.4 11.6 15.5 14.5 7.6 8.0 19.0

2d243 2al498 2al596 2blll3 2bl218 2dl378 2dl281 2fl382

23.7 8.2

2fl4 19 2f/535

10.0

1x/1/359

59 51 64 50 82 73 62 Azeo 93 None

49 71 88 76 94 91 89

2101 4139 6514 6399 8182 8368 8248

98

9869 11727

97

98

4312

77 86

92 97

6592 846 1

None 24 81

1167 3009

2.2 1.3 1.2 2.3

None

2335

1.3

1x/3/1328

None

10531

1.7

6blll9

lx/1/357 6bl77 6 bl67 6d444

Partition coefficient

Reference

-

-

<0.001 0.003 <0.001 <0.001

P1487 P2290 P2877 P2877

5.41 0.46 1.18

V21376 V21583 V21620

0.90

P3982

~

Azeotrope ~

X%

Solute

"C

wlw

Reference

Solute f

Reference

3.1 3.9 2.5 3.8 10.2

3+4/242 3+4/311 3b1550 3b1509 3bl460

Partition coefficient

Reference

~

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane TH F

10 30 87

56 77 98

None 56

12196 92

Esters Me acetate 3 57 Et acetate 6 77 i-Propyl acetate 33 88 n-Butyl acetate None Cellosolve acetatf Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

95

6393 7384 11801

7552

5558 7594 9302 11826a

97

None

1278

None

11179

75 79 54 95 None 87

96 95 69 98 79

8860 6289 2803 8781 10936 654

1.2 4.2 1.o 1.2 2.7 1.4

1x/3/1330 3+4/559 3 +41592 1x/3/133 1 3+4/478 1x/311330

4.2 3.5

1x/1/358 1x/1/359

2.0

51591

17.0

6b198

108 1.3 18.1 13.1 3.1 5.0 25.7 10.6 20.0

1x/3/1330 1x/1/357 51175 6bl161 6bl116 6bl100 6b179 3+4150 2fl400

0.66 0.13

v3129

0.08

V4/240

10.4 0.20

V4/2 01 P1722

1.3

P1657

CEH

iydrocarbons

n-Octane Alternative names Reference codes CAS number UN number

111 65 9 1262

Hazchem code EPA code

3YE

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

114 C8H18 126 -57 0.703

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.2 21.7 0.50 1.395

13.3 220

Lower explosive limit (ppm) Upper explosive limit (ppm)

10000 65000

3750 300 375 200

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

15700 4.1 12 49

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %wlw) Solubility of water in (25°C %wlw) LoglO activated carbon partition LoglO partition in octanollwater (wlw) Biological oxygen demand wlw (days) Theoretical oxygen demand wlw

O.63E-4 BOE-4

Vapour pressure equation constants (Log1o. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

1.2

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molf'C) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

8265 1213 59.3 2.49 568 4926 5.85 4.93 163.5

6.93142 1358.800 209.855 7.14736 1518.9 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

1.23

Hydrocarbons

Azeotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-PropanoI i- Propano1 n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 112-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l, 1-TCA TCE Perk. MCB Hydrocarbons

X% w/w

"C

Reference

12133

None

Solute f

1.o 0.9 1.o

Reference 1x/1/395 6a/6 13 6b1196

-

Partition coefficient

Reference

-

-

-

-

None None 0.7 80 None 88 126 None

13809 11697 10876 13027 14101 14120

0.9 1.o 1.2 1.1 1.2 1.2

6b1283 6al323 6b/242 6b1261 6b1273 6b/275

15.4 21.9 3.7 7.0 4.8

2c/249 2c/462 2c/576 2b/115 2f/207

6.42 1.18 2.55 1.02

V2/385 V2/585 VU622 P960

26.7 4.1

1x/3/1368 2f/383

0.24

P1270

4.5 5.0

2b/302 2b1432

0.93

P3982

2.2 1.4 1.o 2.9

1x/1/393 1x/1/393 6b/234 1x/1/393

37 29 64 50 82 73 89 Azeo 93 None

72 98 88 76 94 91 62

2113 4139 6514 6399 8182 8368 8284

98

9869 11727

97

98

4312

82 123 77 93 86 97 None

10002 6592 846 1

None 24 81

1168a 3009

8 None

2227 10531

121

-

Azeotrope Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DIPE Dibutyl ether MTBE 1,CDioxane THF

X% w/w

"C

10 30 87

56 77 98

Reference

None 56

92

7552

5558 7594 9302 11826a

Azeo

CS2

Acetic acid An iIine Nitrobenzene Morpholine Pyridine &Nitropropane ketonitrile u: rfuraIdehyde )hen01 Nater

83 95 None

3204 11197

75

8860 6289 2810 878 1 10936 734

90

Reference

6.1 3.3 2.1

3bI224 3 +4/3 17 1x/1/395

14.4

lx/3/1368

Partition coefficient

Reference

0.30

V21507

12196

Esters Me acetate 3 57 Et acetate 6 77 i-Propyl acetate 33 88 n-Butyl acetate None Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

5393 7384 11801

Solute f

96 95 77 98

34 5 Vone 75 90

2.5 1.5

3 +4/480 1x/1/394

2.4

1x/1/394

16.5

1x/3/1367

1.3

1x/1/393

6.2 2.5

51189 6bl241

2.9

6bl239

31.3 8.5 8.9

1x/1/393 3a1137 2bI382

Hydrocarbons

n-Nonane Alternative names Reference codes CAS number UN number

1920

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

128 CgH2o 151 -53 0.718

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

31 205

Lower explosive limit (ppm) Upper explosive limit (ppm)

8700 29000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

300

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

5263 4.4 4 47

0.4

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Hazchem code EPA code

1.1 22.9 0.67 1.403

O.2E-4 79E-4

3.50

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

0.9

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Wa:als' surface area Molar volume

9037 1359 71 2.31 595 3690 6.52 5.48 178.3

6.93442 1429.459 201.820 7.24534 1662.9 Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

Hydrocarbons

Azeotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics TetraIin Alcohols Methanol Ethanol n-PropanoI i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Hydrocarbons

X% w/w

"C Reference

Solute g

1.o 0.8 0.8

-

-

17

64

2

97

29

116

128

Reference

-

-

6.16 1.25 2.1 1

V2B9 1 V2/586 V2/623

1x/3/1387

14106 14118

2119

8203

6.7 4.2 9.5 12.0 5.6

50

Partition coefficient

1xf311387 1~/3/1387 lxf311387

-

1.o

None 19 144

Reference

8493

2~4398 2d505 2f/95 2f/209 lxf311387

rzeotrope ~

:%

Solute

"C Reference

YIW

Vetones ketone MEK MlBK Zyclohexanone NMP ketophenone

Solute f

6.4

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

Reference

Partition coefficient

Reference

3bl236

13.7

1x/3/1387

2.2

3+4/481

16.1

1x/3/1387

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatf Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

31 57

113 149

3230 11210

10 25

115 118 80

8870 6293 2812

40

95

789

2.4

6bI352

Hydrocarbons

n-Decane Alternative names Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4) Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

Hazchem code EPA code

142 CloH22 174 -30 0.730

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.06

44

Lower explosive limit (ppm) Upper explosive limit (ppm)

8000 25000

Vapour concentration @21°C ppm Vapour density {relative to air) Vapour pressure @21°C mmHg POCP

1980 4.9 1.5 46.4

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

O.O2E-4 72E-4

3.49

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric Constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol!'C) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

1.408

6.7

7.44000 1843.12 230.220 7.33946 1801.3

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

0.9

1504 2.11 617 6864 7.20 6.02 195

Hydrocarbons

Azeotrope K%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C, Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,1-TCA TCE Perk. MCB Hydrocarbons

"C

Reference

w/w

Solute f' 1.o 1.o 1.o 1.o

-

-

0.9 0.8 1.3

75

166

Partition coefficient

Reference

-

-

0.06

V3/133

1x/4/14 10 1x/4/1411 1x/4/14 12 1x/4/14 12

1x/4/1411 6d574 1x/4/1411

15033

2126

None None None None 92

Reference

8213

None

77

161

4434

8

123

6628

0.6 3.3 5.8 5.1 12.4

2e/l93 2a/508 2a/606 2b/118 2b1236

1.1

2d/285

7.1

2f/542

1.3

6b/392

seotrope %

iolute (etones ketone d EK ABK 2yclohexanone IMP ketophenone

"C Reference

IIW

5396

lone lone

Fthers liethyl ether IIPE Iibutyl ether WTBE 1,4-Dioxane THF

Solute f 1.2 3.8

Reference

Partition coefficient

Reference

+

3 41247 3bl396

12.6

1x/4/14 10

3.2

1x/4/14 10

15.5

1x/4/14 10

Esters Me acetate Et acetate i-Propyl acetate v-Butyl acetate Cellosolve acetal Miscellaneous DMF DMAc DMSO Sulfolane CS2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

20 54

117 167

None

3237 11230

1.1 5.3

6d57 1 51191

8872

1.7

6bl386

81

2815

168 97

11016 842

4.5

65

3 i4/59

Hydrocarbons

2,2,4-Trimethyl pentane Alternative names ISO-Octane, ISOPAR C, 2,2,4-TMP Reference codes CAS number UN number

540 84 1

Hazchem code EPA code

3YE

114 C8Hl8 99 -107 0.692

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.00

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-12 418

Lower explosive limit (ppm) Upper explosive limit (ppm)

11000 60000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

400

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

4.1 41

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

3.51

Vapour pressure equation constants (Log1o. mmHg) Antoine equation A B C Cox chart A B

6.80304 1252.59 220.119 7.04642 1370.5

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (car/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

18.33 0.477 1.389

2.2E-4 0.011

7.4

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

27

7396 1211 55.6 2.59 544 2157 5.85 5.01 166.1

Hvdrocarbons

~~

Azeotrope ~

K% Solute

"C Reference

w/w

Solute f

Reference

Partition coefficient

Reference

-

-

20.1 31.2

V2/139 V2/386

~~

Hydrocarbons +Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics TetraIin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanedio1 DEG 112-Propanediol

None None

13809 14715

-

-

None 2 80 None None

11699a 10880 13040

1.o 1.o 0.7

-

1xJ1/398 6b/197 6b/283

-

1.4 1.4 1.4

6a1328 6b/304 6b/323 6b/333

1.9

47 58 59 16

59 72 85 77

2114 4167 6524 6419

16.6 29.3 11.2 4.4

2a/250 2a/503 2d500 2b/l16

73 56

92 88

8378 8254

5.2

2b/284

35

99

9882

2.1 1.5 1.2

1x/1/397 1x/1/397 6b/285

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1 1I 1-TCA TCE Perk. MCB Hydrocarbons

Vone

1168b

keotrope :%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone

Reference

Partition coefficient

Reference

2.4 3.7

3b/225 3b/395

0.11 0.10

V3/30 CEH

1.4

1x/1/398

3.1

1x/1/398

1.3

1x/1/397

11196

6.5

6b/318

8868 6292 281 1

7.5

6b/297

"C Reference

V/W

)O

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate

Solute T

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

lone 77 79

LO

96 95 69

keo lone 39 79

31.5 13.1 17.3

1x/1/397 3+4/55 2b1383

734a

Yydrocarbons

Cyclohexane Alternative names Hexamethylene, benzene hydride Reference codes CAS number UN number

11082 1145

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

7

Hazchem code EPA code

3YE

84 C6Hl2 81 +6.5 0.778

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.2 24.98 0.980 1.424

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-17 260 7.0E-18

Lower explosive limit (ppm) Upper explosive limit (ppm)

13000 84000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

10000 100 300 400

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

155700 2.9 78.8 25

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.0055 0.01 +4.15 0.6

(5)

3.43

Vapour pressure equation constants (Log10l mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric Constant (20°C) Polarity (water 100)

8.2 0.3 2.01 0.6

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molrC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der W~als' volume Van der Waals' surface area Molar volume

7140 874 36.4 4.07 553 627 4.05 3.24 108.57

6.85146 1206.470 223.136 7.04736 1295.8 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

50 3.4 5.6

Hydrocarbons

~

Azeotrope X%

Solute

"C Reference

WIW

Solute r"

Reference

Partition coefficient

Reference ~~

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol D EG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Hydrocarbons

~

None None

11690 11697

None

11699a

1.2 4.0 0.9 1.7

1.o

-

-

6d205 6al283 6d3 10 6d3 11

c0.01 c0.01

V31278 v31340

20.9 13.0 10.0 12.0 9.0 9.9 4.5 16.7

2al239 2d430 2al579 2f/69 2fll79 2fl3 17 2fl234 1V3I122 7

14.8 23.0 6.6 8.0 1.8

P159 v21350 P639 V2/613 P950

22.1

2b/128 1.4

P3977

-

50 77 None

10854 11694

1.4 1.5 1.7 2.0

62 70 80 68 96. 86 82 None None None

2079 4087 6495 6384 8146 8338 8234 9752 9834 11684

None

4255

85 77 None

6572 8430

6al328

-

-

54 65 74 69 80 78 76

6d119 6a/273 6a/304 6al323

-

None None 50 74

1490 1159 300 1

1.1 2.6

6d159

None

2328

1.5

6d155

Vone

10515

1.71

6d202

6a/142

Azeotrope (%

Solute

"C Reference

NlW

Solute 4"

Reference

Partition coefficient

Reference

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone

33

50

53 72

rlone

5378 7374 11685

4.7 2.8 2.7 2.7 9.4

3+4/213 3 +41297 3 413 54 3 +4/33 7 3b1447

1.o

3+41555

1.3 3.0 1.6

1xi31122 7 3+41468 1x/3/1227

3.4 2.7

51393 51506

2.1

51585

+

1.95 0.13

P492 V3l2 5

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane TH F

75

Esters 17 Me acetate 16 Et acetate 75 i-Propyl acetate n-Butyl acetate Cellosolve acetate

80

75 0

55 73 79

534 1 7583 9296

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Ani Iine Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

rlone 9 79 lone lone

30 IO lone

81 62

1269 3173 11148 8846 6283 2797 8763

19.2 11.2

1x/3/1226 1x/1/271

90.0 1.1 15.6 4.7 9.9

1xi311227 6all54 51146 6a1255 6a1203

2.8 6.9

6all77 1x/1/270

16.7

3+4145

12.8 0.2

1.59 31

70

V21259 P1713

P1622

522

Hydrocarbons

Benzene Alternative names Benzole, benzol, not benzine Reference codes CAS number UN number

71 43 2 1114

Hazchem code EPA code

3WE UO19

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

78 C6H6 80 +5.5 0.879

Cubic expansion coeff (per °C x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.24 28.9 0.65 1.498

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-11 592 4.4E-17

Lower explosive limit (ppm) Upper explosive limit (ppm)

13000 71000

2000 5

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

117000 2.8 78 19

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

300

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1o activated carbon partition Log1o partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.18 0.063 3.6 +2.13 1.2 (10) 3.08

Vapour pressure equation constants (LOglO. mmHg) Antoine equation A B C Cox chart A B

6.87987 1196.760 219.161 7.04500 1290.9

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

9.2 0 2.28 11.1

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molrC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7340 749 31 4.9 562 2375 3.19 2.40 89.41

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

112 2.6

Hydrocarbons

Azeotrope

X% Solute Hydrocarbons n-Pentane n-Hexa ne n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,l ,l-TCA TCE Perk. MCB Hydrocarbons

"C

Solut2 y

WIW

Reference

None 5 68 0.7 80 None

9741 1086 1 10876 10879

1.8 1.5 1.7 1.2

6d118

None 98 80 50 77

10880 10854

1.1 1.5 1.5

6c/574 6bl304 6a1205

-

-

None None None None

10871 10878a

61 68 83 67 None 92 85 None None None

10882a

57 68 77 72 79 79

2066 4073 649 1 6375 8136 8333 8232 9748 982 1 10856

None None None

4239 8520 6654

None None

6567 8425

None None 82 80

1486 1154 2999

None None None

2326 10509

-

0.9 1.o 1.o 2.2

9.7 13.2 5.7 6.9 4.3 116.0 3.6

5.7

0.9 0.9 1.1 1.0 1.o 1.o 1.3 1.o

Reference

Partition coefficient

Reference

-

-

2.3 8.0 1.3 0.86 0.19 0.24 0.33 0.15

v21121 P379 P636 V21595 V3/118 V3/142 V31129 P1268

1.42

P3978

6a1535 6b1123 6b1242

-

71823 71306 713 10 71322

2a1205 2a1399 2a1556 2f165 2fll69 2f13 16 2f1227

2b1127

1xf11225 7/80 717 71142 71121 711 14 711 12 71243

Azeotrope

X% Solute Ketones Acetone MEK MIBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

"C

WIW

Reference

Solute T

Reference

None 55 78 None

5374 7369 10857

1.9 1.3 1.1 0.7 1.0

3+4/195 3+41284 3 +4/35 1 3b1503 3 b144 1

None None 88

12

Esters Me acetate 0.3 43 Et acetate 6 77 i-Propyl acetate None n-Butyl acetate None Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Aceton itriI e Furfuraldehyde Phenol Water

Partition coefficient

Reference

0.43

P497

0.001

P2745

8293 10863

0.7 1.2

3 +4/5 16 3+41553

7537

1.1 0.8

3 41465 1x/3/1183

0.24 0.06

v3172

1.3 3.7

513 75 51502

0.08 0.02

P518 P863

0.9

51583

<0.01

V31279

4.6 3.4 3.3 3.8 1.3 5.1 1.5 1.5

1x/1/226 1x/1/227 71169 71191 71100 51127 71263 71253

3.33

V21542

0.53

V3188

21.0 0.12

P30 1 P1716

1.2 2.2 3.0 1.8 4.8

71220 71186 71124 3 4/44 2b1359

2.49 0.09

V3/105 P1104

0.03 0.05 0.08

V21182 V3/190 V31265

5537 7580 9294 10859

None

5863

None

4184

None 98 80 None None

1265 3163 10850 10703

None None 66 73 None None 91 69

884 1 6281 2795 8760

+

+

V41238

486

Hydrocarbons

Toluene Alternative names Toluol, methylbenzene, methyl benzol Reference codes CAS number UN number

108 88 3 1294

Hazchem code EPA code

3YE U220

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

92 C7H8 110.6 -95 0.867

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.1 28.5 0.59 1.494

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

4 480 8.0E-16

Lower explosive limit (ppm) Upper explosive limit (ppm)

12700 70000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

2000 50 150 40

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour Pressure @21°C mmHg POCP

31000 3.2 23.2 56

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.052 0.033 2.9 +2.69 1.19 (5) 3.13

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B

6.95087 1342.31 219.187 7.12773 1448.2

Solvent properties Solubility parameter Dipole (D) Dielectric Constant (20°C) Polarity (water 100)

8.9 0.4 2.38 9.9

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol!'C) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7985 892 41.0 4.22 591.8 1580 3.92 2.97 106.85

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

105 6.1 2.0

Hydrocarbons

AzeotroDe X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,l,l-TCA TCE Perk. MCB Hydrocarbons

"C

Solute 1p"

WIW

Reference

None None None

12131 13027 13041

1.3 1.4 1.2 1.3

6d160 6d591 6b1169 6bl261

None None None

13043 11694 10871

1.4 1.2 1.o

6b1323 6a1283 71283

-

-

None None

13029 13030

64 31 77 32 93 51 81 31 106 68 101 55 45 95 None 90 110 None

2098 4120 6512 6397 8170 836 1 8246 9760 9852 11720

110 93 None 98 110

4285 853 1 6658

None 74 106 89 110 None

9978 6586 8450

None None None

1498 1166 3006

None None

2220 10524

-

1.1 0.83

Reference

-

Partition coefficient

Reference

-

-

20.8 11.6 1.05 1.16 0.17

V21135 V21372 V2/580 V2/6 19 CEH

0.20

V31130

0.78

P3980

71443 71444

6.3 5.3 4.3 3.9 10.3 3.8 3.3

2d268 2d477 2d592 2f178 2f1190 2b1289 2dl276

45.9

2f134 1

3.9 1.4

2f1337 2fl440

0.9 1.2 1.o 1.o

1x/3/317 71352 71332 71380

0.9

713 70

1.o

714 16

Azeotrope X%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane TH F Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Ani Iine Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

"C

WIW

Reference

None None 97 111

539 1 7382 11799

Partition coefficient

Reference

0.40

P501

2.22

V41223

2.97 0.03

V41190 P1719

71406

0.14

P1109

71373 3a1135 2fl393

0.07 0.03 0.12

V21191 V41258 P 1644

Solute f

Reference

1.8 1.4 1.2 1.4 0.3

3+4/236 3 +4/308 3+41356 3+41339 3b1456

1.2

3+41558

7550

1.3

3+4/375

None None None None

7591 9300 11825 11913

1.2

515 16

1.1

51586

None

5893a

1.9

713 90

None 72 101 None None

1276 3194 11167 10718

8.3 140.4 1.1 9.4 1.7 1.9

71386 71399 71361 51159 71426 71422

68 108 82 110 24 81 None None 80 85

8858 6285 280 1 8776 10920

1.8

None

20

8304

102

None

3.8 2.6 2.4 610

iydrocarbons

Ethylbenzene Alternative names Phenyl ethane Reference codes CAS number UN number

100 41 4 1175

Hazchem code EPA code

3YE ZO48

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

106 CSHlO 136 -94 0.867

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.03 29.2 0.72 1.493

15 435

Lower explosive limit (ppm) Upper explosive limit (ppm)

10000 67000

2000 100 125 125

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

9960 3.7 8.0 59

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.020 0.033 3.1 +2.76 0.028 (5) 3.17

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B

6.96580 1429.550 213.767 7.19691 1579.7

Solvent properties Solubility Parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molrC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

8.9 0.4 2.41

Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

8.8 0.84

8491 1038 43 3.74 617 4.60 3.51 123.1

Hydrocarbons

Azeotrope X%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics TetraIin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,l,1-TCA TCE Perk. MCB Hydrocarbons

"C

wlw

Reference

Solute r"

Reference

None 12 126 None

13807 14101 14106

1.7 1.2

6d489 6bl273

1.5 1.2 1.o 1.0

6bl333 6 d 3 10 71306 71443

None None None

10878a 13029

-

-

None

14098

None None 9 None 33 20 None 60 51

2106 4144 6517 6402 8185 837 1 8251 9765 987 1

97 115 107 130 126

B7 Azeo

133

432 1 8545

BO 49 57 4

135 117 126 140

9991 6596 8463

None

1167a

None

2225

-

-

6.5 6.1 3.3 2.0 2.7

2d245 2d460 2d601 2dl95 2bl228

3.1 2.9

2bl132 2bl299

0.9 0.7

71464 7/466

1.o

71469

Partition coefficient

Reference

-

-

2.0

V2162 1

2.0 0.85

V31158 P3977

~~

keotrope Reference

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

Vone Vone Vone

11802

None

14102

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate None Cellosolve acetate None Miscellaneous DMF DMAc DMSO Sulfolane

65

Reference

2.1 1.4

3b1217 3 413 16

1.1

3 +41563

0.9

51540

5.0 2.0 1.6 1.5

51178 714 74 714 70 3+4/482

2.5 3.0

71465 3+4/51

Partition coefficient

Reference

0.07

V41268

+

11828 12007 134

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Solute f

34 115 None

3206 11183

None 8 120 None 95 132 None 67 92

886 1 6290 2804 8783 10943 676

Hydrocarbons

Xylenes (mixed isomers) Alternative names Dimethyl benzenes, xylol Reference codes CAS number UN number

1330 20 7 1307

Hazchem code EPA code

3Y U239

106 C8HlO 136*

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.0 28.6 0.7* 1.496

Physical properties* Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

0.870

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

23* 480 8.0E-16

Lower explosive limit (ppm) Upper explosive limit (ppm)

11400 70000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

10000 100 150 1.0

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure@ 21°C mmHg POCP

9180 3.7 7.0 85*

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.02 0.05 4.3 3.0 0.1 (5) 3.17

Vapour pressure equation constants (Loglo. mmHg)* Antoine equation A B C Cox chart A B

6.99053 1453.43 215.310 7.20807 1601.1

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

8.9 1.3 2.3 7.4

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

8692 1035 42 3.55 623 3180 4.66 3.54 121.84

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

98 13.5 0.76

*Typical mixture of isomers Hydrocarbons

Azeotrope X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2 2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i- Buta no1 s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-0ctanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 112-EDC l1ll1-TCA TCE Perk. MCB Hydrocarbons

"C

Reference

wlw

None None None 81

144

None None None

13808 14120 14118

13030 14098

-

-

Solute f

Reference

1.5 1.2 1.4 1.3

1x/1/369 6d605 6d497 6bl275

1.5 1.o 1.1

6al3 11 713 10 71444

-

-

6.6 5.3 3.3 2.6 3.1 2.6 2.7

2d247 2d500 2d575 241229 2bl229 2bl292 2dl282

Partition coefficient

Reference

-

-

3.08

v21379

0.56

P3979

None

None None 7 97 None 27 115 12 108 None

2108 4146 6519 6402 8186

90 140 None 11 93 135 Azeo

11730 4113 4323

6.3

2fl536

73 45 50 4

9994 6598 8465 12235

4.0 4.2

2 bll34 2fl4 16

None

137 120 128 144

8252

0.85

1x/1/369

0.9 1.1

71480 71490

0.9

71508

1167c

Azeotrope X%

Solute

Yetones ketone M EK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane TH F

"C

Reference

WIW

None None

22

142

Esters Me acetate None Et acetate i-Propyl acetate None n-Butyl acetate Cellosolve acetatf None Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Ani Iine Nitrobenzene Morpholine Pyridine 2-Nitropropane AcetonitriIe Furfuraldehyde Phenol Water

Reference

2.4 1.2 1.3 1.2 1.9

3131222 3bl382 3bl553 3b/511 3bl462

1.1

1x/3/1348

1.3

1x/3/1350

1.6

51541

2.5

71481

1.1 3.8

1x/1/369 5118 1

1.4

5.1 2.9

Partition coefficient

Reference

0.29

,V2/506

14.1 0.1.1

P310 P1718

71482

0.08

P1108

1x/1/369 3 +4/52

0.38

v21193

0.12

P1642

14117

7594 11829 12009 136

5894

22 116 None

3208 11185

80

Solute

None 90 139 None 63 93

2805 8785 10944 677

Hydrocarbons

C9 Aromatics Alternative names Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4) Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

2325

Hazchem code EPA code

Cubic expansion coeff (per °C x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.89 28 1.153

55 425

Lower explosive limit (ppm) Upper explosive limit (ppm)

9000 65000

8000 25 75 0.4

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

5200 4.2 4 84*

120 CgHl2 152* 0.876

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.0058* 0.035*

3.20

Vapour pressure equation constants (LoglOt mmHg)* Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water lOO)

7.1

Thermal information* Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol!'C) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (caVmol) Van der Waals' volume Van der Waals' surface area Molar volume

8952 1179 48 3.21 631 1680 5.30 4.04 139

7.0764 1571.0 209.7 7.25282 1670.2

Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

*Typical mixture of isomers Hydrocarbons

keotrope I(%

Solute

"C

U/W

Reference

Solute

Reference

None

10882a

1.1

71322

-

-

-

2.6

2d197

2.2

2fl241

3.3

2d/131

~~

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n- Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics TetraIin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG lI2-Propanediol

-

2116 4173 6529 6422 820 1 8382

None None None None None None ? ? 50 156 None 85 153

9886 11750 14729 4372

148 122 134 160

10008 6618 8484 12252

Glycol ethers PGME EGME EEE EGBE

30 15 10 20

Chlorinated MDC Chloroform Carbon tet. lI2-EDC 1,1,1-TCA TCE Perk. MCB

None

Hydrocarbons

-

10566

Partition coefficient

Reference

zeotrope .%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone

"C Reference

//W

?

152

Solute f

Reference

Partittion coefficient

Reference

0.33

V2/508

11374 2.8

3b/463

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,6Dioxane TH F Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate !5 Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

155

12024

lone 30

167

3225 11205

40 20 50

152 158 95

8805 10971 767

Leo

2.8 52.1

2b/385 1b/286

0.02

V3/301

Although individual C9 aromatics can be obtained commercially the mixture used as a solvent usually contains a mixture of up to eight isomers with atmospheric boiling points in the range of 152-176°C. In many cases some isomers form azeotropes with other solvents while others do not. If any azeotropes are reported they are included in the above table. Hydrocarbons

Tetralin Alternative names Tetrahydronaphthalene, tetranap Reference codes CAS number UN number

119642

Hazchem code EPA code

132 CloHl2 205 -31 0.974

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.0 35.5 2.0 1.539

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

74 225

Lower explosive limit (ppm) Upper explosive limit (ppm)

8000 50000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

25

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

526 4.6 0.4

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

4.8 O (5) 3.15

Vapour pressure equation constants (LOglO. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

0 2.77 9.3

7.52287 2019.3 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

200

10098 1289 0.53 3.65 447 2978

136

Hydrocarbons

zeotrope ~

1% Solute

"C Reference

//W

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra Iin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Hydrocarbons

13

~~

194

Solute T

Reference

1.9 1.9

1x/4/1398 1x/4/1398

1.4 1.o

W4t1398 1x/4/1398

-

-

2.2

2b/235

2.1

2f/54 1

Partition coefficient

Reference

rzeotrope Solute

1% ilw

"C Reference

Solute f'

Reference

Partition coefficient

Reference

4.6

V2/3 10

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Ani Iine Nitrobenzene Morpholine Pyridine 2-N itropropane Acetonitrile Furfuraldehyde Phenol Water

!O

99

806

Hydrocarbons

Section 2

Alcohols

Methanol Alternative names Methyl alcohol, wood alcohol, carbinol, not methylated spirit Reference codes CAS number UN number

67 56 1 1230

Hazchem code EPA code

2PE U154

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

32 ClH4Ol 64 -98 0.792

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.2 22.6 0.6 1.326

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

15 470 1.5E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

60000 365000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

25000 200 250 6000

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

156000 1.11 103 12.3

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Total Total 0.86 -0.82 1.12 (5) 1.5

Vapour pressure equation constants (LOglO' mmHg) Antoine equation A B C Cox chart A B

8.08097 1582.271 239.726 8.23606 1579.9

Solvent properties Solubility parameter Dipole (D) ,

14.5 1.7

Dielectric constant (20°C) Polarity (water 100)

32.6 76.2

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' .surface area Molar volume

8426 150 19.5 7.96 513 758 1.43 1.43 40.4

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

380 6.3 4.1

Alcohols

Azeotrope

X% wlw

"C

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra1in

8 50 52 72 83 None 53 38 39 69 None None None

31 68 59 63 64

Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. l12-EDC 1,1,1-TCA TCE Perk. MCB Alcohols

Reference

Solute r"

Reference

2055 2087 2101 2113 2120 2126 2114 2079 2066 2098 2106 2108 2116

11.2 16.0 22.1 45.1 38.6 49.7 28.1 18.3 7.4 8.4 10.3 10.3

2d132 24253 2d243 2d249 2d191 2d250 2a/239 24205 2a1268 2d245 2c/247

-

-

-

-

None None None None None

1944

59 54 58 64

1978a 2015

1.o 1.3 0.9 1.3 1.3 0.7 1.4 1.4

2d193

2450 2al122 24123 2a/169 2a/171 2d128 2a1202 2a1201

None None

2056

None

1945

2a162

None

1979

2d98

93 B7 79 32 22 38 64 None

38 38 56 61 56 59 64

1544 1430 1090 1930 1923 1915 1914 2063

2.1 2.7 7.0 5.4

2a/24 2d23 241 2d44

8.3 17.9 7.8

2a140 2437 2al204

Partition coefficient

Reference

Azeotrope X%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

Reference

12 56 70 64 None

1963 1993 2084

98 24

2091a

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

62 57

10 51 None 31 59

Esters 19 Me acetate 46 Et acetate i-Propyl acetate 80 n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

"C

W/W

54 62 65

2058 1998 1996 1967 1999 2046

None

29 40 None

1175 1933

None

2065

None None 19 64

2024 1977 1925

None

213

Solute

Reference

1.8 2.1 3.3

2d68 2a/133 2d248

3.2 4.3 10.6 3.1 2.2 2.2

2a/170 2d261

2.9 2.8

2d92

5.8

2 d 2 13

0.8

2all15

0.25 4.0 12.2 0.9

2d62 2d125 2a/35 2d48

1.0

2al183

2.4 1.o

2a143

1.5

1/49

Partition coefficient

Reference

2d160 2d148 2 d l 41

2d154

2d140

Alcohols

Ethanol Alternative names Ethyl alcohol, grain alcohol, methylated spirits, IMS Reference codes CAS number UN number

64 17 5 1170

Hazchem code EPA code

2SE UOOl

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

46 C2H60l 78 -114 0.789

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.1 22.3 1.08 1.359

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

13 419 1.4E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

33000 190000

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

64000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour Threshold (ppm)

1000 6000

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition Loglo partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

1.6 45.7 ?7

Total Total 1.35 -0.32 0.92 (5) 2.09

Vapour pressure equation constants (LoglO, mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D), Dielectric constant (20°C) Polarity (water 100)

13.4 1.7 22.4 65.4

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol!'C) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

9200 296 27 6.39 516 1198 2.11 1.97 58.68

8.11220 1592.864 226.184 8.24183 1651.2

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

325 8.3 2.4

Alcohols

Azeotrope X%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-PropanoI i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,P-EDC 1,l ,l-TCA TCE Perk. MCB

"C

W/W

Reference

Solute 4"

Reference

6.9 8.9 11.3 15.1 24.5 14.5 10.8 7.5 4.0 5.9 6.4 7.7

2c/375 2a1353 2a/498 2d462 2d398 2d508 2d503 2a/430 2d399 2d477 2c/460 2d500

5 21 72 78

34 59 98 77

4062 4106 4139 4165

40 31 32 63 None None None

72 65 68 77

4167 4087 4073 4120 4144 4146 4175

None

1944

-

-

None None None None None None None None None None None None

3981 3980 4026 4029a 4027 4063 1066

None None None

3982 4032

1.1

-

2a/60

-

1.1 1.o 1.o

2d236 2d341 2a1365

1.o 1.1 1.3 2.3

2a/366 2d396 2d395 2d42 1

6.5

2c/297

1.9

2c/319

2c/350

40 59 65 70

1551 1442 1105 2964

1.7 2.0 4.7 3.6

2d283 2d285 2d276 2a/299

28 71 63 77 None

2286 2162 4070

4.7 6.1 5.6

2d295 2c/285 2d397

2 7 16 37

Partition coefficient

Reference

~

Azeotrope X%

Solute Ketones Acetone MEK MIBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

"C

wlw

Reference

Solute f

Reference

None 39 74 None

3965 4005 4101

1.8 1.7 2.1

2a1321 2a1343 2d423

None 17 64 None

4029 4110 4170

2.6 4.1 5.0

2d375 2a1459 2d391

>98 7 8

4011 4009

2.2 1.5

2a1348 2a1328

3969 4012 4054

1.9 2.4 2.1 3.1

2d335 2d351 2d391 2d426

0.7

2d37 1

8.1 6.5 0.7 4.9

2d344 2a1281 2d293 2a1427

0.6 1.o

2d345 2d355

1.9 5.5

2d298 2d383

2.7

11165

10

Esters Me acetate 3 57 26 72 Et acetate 77 i-Propyl acetate 52 n-Butyl acetate None Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane ketonitri le Furfuraldehyde Phenol Water

None

9

43

1189

None None

4075 4072

None 94 78 56 73 None

4038 3978 2760

96

78

242

Partition coefficient

Reference

Alcohols

n-Propanol Alternative names Propan-1-ol, n-propyl alcohol, 1-propanol, ethyl carbinol Reference codes CAS number UN number

71 23 8 1274

Hazchem code EPA code

2SE

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

60 C3H80l 97 -127 0.804

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.96 23.7 1.72 1.383

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

25 440 9.0E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

21000 135000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

4000 200 250 45

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

18000 2.07 13.4 45

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C o;oW/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Total Total 1.67 +0.34 1.5 2.40

Vapour pressure equation constants (LoglOs mmHg) Antoine equation A B C Cox chart A B

8.37895 1788.020 227.438 8.25022 1755.8

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

11.9 1.7 20.1 61.7

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

9780 438 34 5.10 537 1240 2.78 2.51 75.14

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

250 9.0 1.0

Alcohols

~~

Azeotrope Solute

X% w/w

Hydrocarbons n-Pentane n- Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra1in

None 4 36 70 98 None 41 20 17 49 91 93 None

Alcohols Methanol Ethanol n-Propanol iPropanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l,l-TCA TCE Perk. MCB Alcohols

"C

Reference

66 88 94 97 85 74 77 93 7 97

None None

6484 6505 6514 6523 6524 6495 649 1 6512 6517 6519 6529

3981

-

-

13.3 5.0 6.6 8.3 8.7 6.5 3.8 3.3 3.3 3.8 4.0

2a/584 2a/596 2a1576 2d505 2al606 2d500 2al579 2a.556 2a/592 2a160 1 2c/575

1.1 1.1

2a/122 2a/336

-

Partition coefficient

Reference

1.2

CEH

-

-

-

2d53 1 2a/539 2a/541

0.07

CEH

6486

1.0 1.0 1.8

2d47 1 2a/548 2d414

4195a

6.2

2c/483

2.9

2c/491

1.3

2c/490

2.7

2d416

3.3 2.4

2a/509 2a/520

5.9

2a1518

3.5

2a1552

6465 6463

None

None

73 81 73 82 94 97

Reference

1.1 1.1 1.1

None None None None None None

None None 8 19 7 17 48 80

Solute f

1454 1116 297 1 2296 2177 6489

Azeotrope

K% Solute

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF

"C

WIW

Reference

None None 35 94

5320 6445

None None

6464

55 None

6447

Esters None Me acetate None Et acetate i-Propyl acetate n-Butyl acetate 40 94 Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane CSZ Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Solute f

Reference

1.6

2c/496

0.2

2d461

3.6 3.2

2a1586

1.8 1.2

2d533 2d497

3.6 1.7

2d530 2d536

14.5

2d484

0.4

2d454

46

1209

3.6 0.9

2d417 2a/525

2c/512

28

6469 627 1 2768

0.8

96 81

3.0

2~4430

71

87

293

3.95

11301

5

\one

75

Partition coefficient

Reference

Alcohols

i-Propanol Alternative names Propan-2-ol, isopropyl alcohol, IPA -avoid

confusion with IP acetate

Reference codes CAS number UN number

67 63 0 1219

Hazchem code EPA code

2SE

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

60 C3H80l 82 -88 0.786

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.05 21.7 2.0 1.375

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

12 425 6.0E-8

Lower explosive Upper explosive

23000 127000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

20000 400 500 60

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Total Total 1.46 +0.26 1.59 2.40

Vapour pressure equation constants (LoglOt mmHg) Antoine equation A B C Cox chart A B

8.87829 2010.33 252.636 8.24362 1673.2

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

11.5 1.66 18.3 54.6

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol!'C) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

9540 433 37 4.76 508 1282 2.78 2.51 76.92

limit (ppm) limit (ppm)

Kauri butanol value Evaporationtime (ether = I) Evaporationtime (BuAc = I)

46000 2.07 35.1 15

230 11 1.5

Alcohols

Azeotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetrali n Alcohols Methanol Ethanol n-Propanol i-Propanol &Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

X% w/w

"C

6 23 51 84 Azeo None 54 32 33 69 None None None

35 63 76 82

6370 6390 6399 6418

77 69 72 81

6419 6384 6375 6397 6402 6404 6423

Reference

None None None

1978a 3980

-

-

None None None None None None None None None None

Solute f

Reference

5.0 7.4 7.8 7.9 6.6 4.8 4.7 4.0 3.8 5.3 5.0 5.0

2b197 2bll13 2bll15 2f195 2b1118 2b/l16 2 b/84 2b/65 2b1108 2d/95 2d/96 2d197

0.9 1.1 1.02

2d123 2d341 2f/47

1.6 1.o 1.1 0.82

24/55 2d/56 2b/62 2f163

2.6

2d/47

2.31 1.6 3.3

2f/36 2d/40 2b136

4.0 5.7 4.9

2d/43 2d/42 24/64

-

Partition coefficient

Reference

-

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Alcohols

None 4 18 43 None 30 70 None

61 69 75 75 82

1561 1453 1115 2970 2729 2295 2176 6373

-

Azeotrope Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropan Acetonitrile Furfuraldehyde Phenol Water

X% w/w

"C

Reference

Solute Ip"

Reference

2.4 1.5 1.7

2 b143 2 b154 2b/96

2.9 3.9

2b1101

6337 6335a

1.7 1.4

2b/56 2b155

5516 6338 6363

2.5 1.7 1.77 2.0

2b150 2b159 2f/59 2d175

None 32 78 None

5319 6335 6386

None 15 66

6351 6391

None None None 25 75 52 80 None

Partition coefficient

Reference

None

8

44

2.5 13.6

2f139 2d/53

0.6

2d144

1208

0.9

2d157

96 48

82 75

6270 2767

2.57

2f140

88

80

292

3.2

11334

Alcohols

n-Butanol Alternative names Butyl alcohol, 1-butanol, butanol, propyl carbinol Reference codes CAS number UN number

71 36 3 1120

Hazchem code EPA code

3Y UO31

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

74 C4HlOOl 118 -80 0.810

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.79 24.6 3.0 1.397

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

35 360 9.1E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

14000 112000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

8000 50 50 5000

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

6300 2.55 4.8 55

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

7.3 20.4 2.36 +0.88 1.15(5) 2.21

Vapour pressure equation constants (Log10r mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

11.4 1.66 18.2 60.2

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

10434 586 41 4.41 563 2215 3.45 3.05 91.97

7.83800 1558.19 196.881 8.25925 1871.7

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

225 33 0.47

Alcohols

Azeotrope

X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated M DC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Alcohols

"C

Reference

Solute

Reference

68 94 110 116

8163 8182 8194 8203

4.1 2.8 4.2 6.6 10.0 8.9

2bl169 2bl200 2b1218 1x/3/107 5 2fl209 2131236

80

8146 8136 8170 8185 8186 8198

WIW

None 3 18 50 72 8 4 None 28 67 73 None

105 115 115

None None None None

2015 4026

-

-

None None None None None

8103 8102

None None

None 3 None 3 30 56

8106 8106

77

1133 2984

87 109 115

2306 2186 8133

3.3 2.1 2.3 2.7 2.7

2bl188 2f/169 2bl207 2b1228 2b1229

3.1

2b1235

1.3 1.0 1.o 1.o

2at169 2a/365 2at539 2dl55

-

Partition coefficient

Reference

0.84 0.34 0.12 0.24

V2t99 V4l2 05 V4t226 V2/590

-

-

-

1.o 0.9 1.o 1.1 1.2

2bl161 2bl154 2b1173 2b1170 2b1193

0.07

V31110

2.6 1.8 1.8

2dl6 2d1174 2d1137

1-10

V21420

1.1

2fll89

1.9 1.5 2.4 2.3 2.0 2.8 3.1 2.5

1x/1/130 2b1136 2b1135 2b1137 2f/123 2f/l2 1 2d1155 2b1175

Azeotrope X%

Solute Ketones Acetone MEK MIBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatf Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane ketonitrile Furfuraldehyde Phenol Nater

"C

WIW

Reference

Solute T

Reference

None None 30 114

5344 7357 8152

1.1 2.0 1.8

2b1140 2b1143 241193

None None 83 118

8104

1.7 2.4 2.4

1x/3/1072 2b1202 2d123 1

1.1 1.2

2bl147 2b1146

1.o 1.8

2f1137 2bl148

1.7

2bl197

0.5

2f1131

8195

None None

None None 63 1 None

8121 8153 8160

None None 57 120 None None

1233 3135 8138 8135

2.6 1.o

2fl120 2dll58

70 119 48 112 None

8109 6275

0.7

2b1166

4.1 3.2

2dll56 2f1155

5.1

11407

58

93

372

Partition coefficient

Reference

0.31 0.14

V21469 V41237

0.20

P307

Alcohols

i-Butanol Alternative names Isopropyl carbinol, isobutyl alcohol, IBA, 2-me-1-propanol Reference codes CAS number UN number

73 83 1 1120

Hazchem code EPA code

3Y U140

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

74 C4HlOOl 108 -108 0.802

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute Viscosity (@25°C cP) Refractive index (25°C)

0.95 22.8 3.96 1.394

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

25 390 1.6E-8

Lower explosive Upper explosive

16000 109000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

8000 50 75 80

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

8.7 15. 2.1 +0 1.6 2.6

Vapour pressure equation constants (LOglO, mmHg) Antoine equation A B C Cox chart A B

8.53516 1950.94 237.147 8.25506 1816.5

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

10.7 1.7 17.7 55.2

limit (ppm) limit (ppm)

11500 2.56 8.6 40

O 6 .74 2

Kauri butanol value Evaporationtime {ether = 1) Evaporationtime {BuAc = 1)

25 0.6

10220 585 53 4.30 548 3.45 3.05 92.91

Alcohols

Azeotrope X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propano1 n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Blycol ethers PGME EGME EEE EGBE 2hlorinated MDC zhloroform zarbon tet. 1,2-EDC l,l, 1-TCA TCE 'erk. WCB Alcohols

oc

Reference

Solute Y

Reference

68 91 104

8327 8354 8368 8377

5.3 4.0

2f/320 2f1326

92 78 79 101 107 107

8378 8338 8333 836 1 837 1 8373

3.2 3.4 2.7

2f/3 17 2f/3 16 2b1289

2.8

2b1292

0.9

2f150 2d156 2fll53

WIW

None 2 27

27 14 8 45 80 88

None None None None None

4029a 6465 8103

-

-

8328

None

2.3

None None

6548 8306

9 40 53

-

1.o 0.9

None None None

None 5 6

1.o 1.o

-

2fl223 2f/3 11

2f/l2

76 83

1475 1137 2988

2.1

2b1272

85 103 107

2309 2189 833 1

2.5

24/357

Partition coefficient

Reference

0.24

VU552

-

-

Azeotrope

X% Solute

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile FurfuraIdehyde Phenol Water

"C

WIW

Reference

Solute .p"

Reference

None None 91

5347 7360 8343

1.4

2f1304

1.5

2b1278

108

101

None None None None

7522

7570 8318 8345 8352

None

0.03

P864

0.4

2bl275

1.o

2f1302

0.21

P308

0.03

P1107

None Azeo

1236

None 67 105 None

8307 6278 2779

0.7

2f1307

3.4

2f1300

376

4.8

11440

57

Reference

8379

None 4

Partition coefficient

89

Alcohols

s-Butanol Alternative names 2-Butanol, methyl ethyl carbinol, 2-hydroxy-butane Reference codes CAS number UN number

78 92 2 1120

Hazchem code EPA code

3Y

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

74 C4HlOOl 99.5 -115 0.807

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.91 23.0 3.7 1.395

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

21 405 <1.0E-7

Lower explosive limit {ppm) Upper explosive limit {ppm)

17000 98000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

10,000 100 150 75

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

17600 2.56 13.2 55

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C o;oW/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

19.8 65.1 +0.61 1.87 2.59

Vapour pressure equation constants (Log1o. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole {D) Dielectric constant {20°C) Polarity {water 100) Thermal information Latent heat {cal/mol) Nett heat of combustion {kcal/gmol) Specific heat {cal/molfC) Critical pressure {MN/m2) Critical temperature {K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

10.8 1.7 16.56 50.6

7.47429 1314.188 186.500 8.25102 1766.8 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

195 13.0 0.9

9916 583 40 4.20 536

91.70

Alcohols

~~ ~~

Azeotrope X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n- Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin

"C

WIW

Reference

Solute r"

Reference

None 8 67 37 88

8228 8242 8248

4.3 3.8

2bl250 2fl239

34 18 15 55 None None

8254 8234 8232 8246 8251 8252

2.6 4.1 1.6 1.8 2.1

2bl285 2bl284 2fl234 2fl22 7 2bl276

2.7 3.4

2bl282 2fl24 1

0.9 1.2

2d128 2d366

8102

1.1 0.9

-

2bl62 2bl154 2fl223

-

88 76 79 95

Alcohols Methanol Ethanol n-Propano1 iPropanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

-

-

Glycol ethers PGME EGME EEE EGBE

lone

6547

None 8 74 12 82

1472 1134 2985

2.2 2.2

2fl2 17 2fl220

15 84 57 97 None

2307 2187 8230

2.1 4.0 2.7

2fl2 19 2bl240 2bl258

Chlorinated M DC Chloroform Carbon tet. 1,2-EDC 1,l ,l-TCA TCE Perk. MCB Alcohols

None None None None None None

4027 6463

1.o

Partition coefficient

Reference

LzeotroDe (%

olute

"C)

Solute

Reference

VIW

Reference

Partition coefficient

Reference

~

etones ,cetane

1EK 1IBK :yclohexanone IMP cetophenone

'thers biethyl ether )IPE )ibutyl ether ATBE ,4- Dioxane 'H F

7358

(one

40

99

1.4

2b1239

6.0

2b1251

4.8 0.9 3.8 12.5

2f/2 18 2f122 1 2bl265 2f1226

0.8

2fl224

2.3

2 bl24 1

7.3

11420

7520

:sten Ae acetate 3 acetate -Propyl acetate ,-Butyl acetate :ellosolve acetat

None

7568

None

8237

Aiscellaneous IMF >MAC IMSO Mfolane

>Sp ketic acid Wine q itrobenzene vlorpholine 'yridine !-Nitropropane ketonitrile :u rfuraldehyde 'henol Nater

None

823 1

None 82 99

8217 6276

73

87

373

0.20

P309

Alcohols

n-Amyl alcohol Alternative names 1-Pentanol, pentyl alcohol, butyl carbinol Reference codes CAS number UN number

71 41 0 1105

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

88 C5Hl2Ol 138 -78 0.815

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.92

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

48 360

Lower explosive limit (ppm) Upper explosive limit (ppm)

11000 laaaaa

150 10

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

4030 3.1 3.0

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C o;oW/w) Solubility of water in (25°C o;oW/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

25.6 4.0 1.408

1.7 9.2 2.74 +1.40

2.73

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

1.7 13.9 56.8

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molrC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

10613 733 37 3.84 586 2345 4.13 3.59 108.6

7.3982 1435.57 179.8

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

0.3

Alcohols

Azeotrope X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2 2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C, Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 112-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 112-EDC 1,l 1-TCA TCE Perk. MCB lcohols

"C

w/w

Reference

None Azeo

9758

Solute f

Reference

3.8 3.7 4.8 3.7 4.5

1x/3/1154 1x/3/1155 21382 2f1383 lx/3/1156

Partition coefficient

Reference

122

9769

None None None 40 130 42 131

9752 9748 9760 9765 9766

3.3 2.6 3.1

1X13/1155 lx/3/1155 1x/3/1156

None None None None None

2056 4063

1.3 1.5 1.o 0.9 0.8 1.o

2d202 2d396 2d47 1 2f/63 2b/173 2fl3 11

0.14 0.50

VU1 17 V2/348

-

-

-

-

-

-

None

9746a

4.4

2d/8

2.7

VU423

1.7

2d/139

1.8 1.3 1.7 1.2

1x/3/1153 lxf311153 2f1375 2fB73

None

None None

6560 8419

None

15 25

1147a

117 126

220 1 9747

Azeotrope

K% Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane TH F

"C

Reference

wlw

Azeo

50

135

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate None Cellosolve acetate

Solute *p"

Reference

2.1 1.8 1.7

1x/3/1154 1x/311154 2fl380

1.7

1x/3/1154

2.1

1x/3/1154

2.0

2fl37 1

Reference

0.22

P313

0.05 co.01

V31186 P1649

9770

9754

Miscellaneous DMF DMAc DMSO Sulfolane a 2

None

1257

Acetic acid Ani Iine Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

None 15 120

8836 6280

None 46

Partition coefficient

96

9749 464

3.4

1d383

Alcohols

i-Amyl alcohol Alternative names Fusel oil, 3-methyl-l-butanol,

isopentyl alcohol, isobutyl carbinol

Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

123 51 3

Hazchem code EPA code

88 C5Hl2Ol 130 -134 0.810

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

46 365

Lower explosive limit (ppm) Upper explosive limit (ppm)

8000 100 125 15

Vapour concentration @21°C ppm Vapour density (relative to air} Vapour pressure @21°C mmHg POCP

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C o;oW/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/"C) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

4.2 1.4014

12000 90000

3140 3.06 2.4

2.75

+1.16 2.73

Vapour pressure equation constants (LOglO. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

1.12 23.8

1.8 15.2 56.5

7.382 1373.8 174.3

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

62

10542 792 47.3 583 4.13 3.59 109.2

Alcohols

azeotrope K%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Alcohols

"C

W/W

Reference

Solute .p"

Reference

None 7 98 35 120

9845 9869 9881

4.8

1x/3/1151

5 99 None None 10 110 49 126 52 126 None

9882 9834 9821 9852 987 1 9873 9887

3.0

1~/3/1151

None None None

4066 6486

1.2 1.2 1.o

2d201 2d395 2a/548

None None

1.o

2b/170

8328

-

-

-

-

None

422 1

4.1

2d17

1.7

2d/138

None None None None

9816 6562 8420

None None

1149 2995

None 19 116 34 124

232 1 2203 9819

Partition coefficient

Reference

0.50 0.12 0.07

V2/347 V21566 V2/592

0.08

V3/139

-

-

ueotrope :%

"C

Solute

V/W

Reference

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone

4one

9836

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

i5

130

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Jone

Solute f

Reference

1.8

1x/3/1151

2.1

1x/3/1151

Partition coefficient

Reference

0.07

V3/185

9883

9842

Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane AcetonitriIe Furfuraldehyde Phenol Water

$4 Jone

133

3156a 9824

(one

8838

Jone

9822 468

io

95

1.9

1a/382

Alcohols

Cyclohexanol Alternative names Hexalin, cyclohexyl alcohol Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4) Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

108 93 0

Hazchem code EPA code

100 C6Hl2Ol 161 +25 0.949

Cubic expansion

68 300

Lower explosive limit (ppm) Upper explosive limit (ppm)

20000

3500 50

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

1500 3.45 1.14

1

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

coeff (per oC x !03)

Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.82 32 52.7 1.465

4.3 11.8 +1.23 0.08 (5) 2.83

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

11.4 1.8 15.0 50.0

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/"C) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

10900 892 50 3.7 625 419 4.35 3.51 103.43

8.35237 2258.560 251.624 8.27876 2110.6 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

150 0.08

Alcohols

Azeotrope

X% Solute Hydrocarbons n-Pentane +Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB 'cohols

"C Reference

Solute T

Reference

None None

11727

5.5 5.7 6.8

1XJ311232 lxJ11272 2fl4 19

None None None

11684 10856 11720

3.4 2.7

1V11272 1XJ11272

WIW

10 40

140

11730 11750

None None None None

-

-

Vane

4257

Vone

9967

Uone

11712

lone

Partition coefficient

Reference

2f1536

1.2 3.9

2d42 1 2d414

1.o

2bl193

-

-

2.3

2dl14

1.6

2131393

-

-

0.02

P3974

Lzeotrope

:% Solute

"C

Reference

VIW

Solute r"

Reference

3.8

2d5 10

0.5

2W395 2fl4 11

1.4

2d511

1.3

2fl4 17

1.4

2fl4 16

Part coefficient

Reference

0.24

VI260

0.05

v31234

.i

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF

lone 11357

lone

lone

11745

lone

7543

Esters Me acetate lone Et acetate i-Propyl acetate lone n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile FurfuraIdehyde Phenol Water

11149

rlone

35 13 30

156 183 98

8764 10895 528

2.8 4.5

2bl385 11514

Alcohols

n-Octanol Alternative names Octyl alcohol, heptyl carbinol Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4) Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

I11 87 5

Hazchem code EPA code

130 CgHl8Ol 194 -16 0.827

Cubic expansion coeff (per OCx !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.99 27.5 7.5 1.427

81

Lower explosive limit (ppm) Upper explosive limit (ppm)

30000

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

186 4.5 0.14

1.4E-7

0.5

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.6 3.15 2.95 (5) 2.95

Vapour pressure equation constants (Log1o. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

10.4 1.9

6.5422 1139.45 115.9 8.29377 2295.1 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

54.3 12675 1167 65 2.69 659 6.15 5.21 158.4

Alcohols

~~

~

keotrope :%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i- Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-0ctano1 Ethanediol DEG l12-Propanediol

"C Reference

VIW

14113 14728

lone lone 194

184

Solute 4"

Reference

2.6 2.8 3.1 3.4

1x/1/401 1x/1/402 1x/1/402 1x/1/402

2.8

2f1542

2.1 2.1 2.5 2.4 2.7 1.4

1x/1/401 1x/1/402 1x/1/402 1x/1/402 1x/1/402 2f541

1.1

1x/3/1371

-

-

Alcohols

Reference

c0.01 c0.01 c0.01 c0.01

P1483 P2286 P2874 P2876

0.76 0.29 0.06

P155 P367 P636

0.02 0.03 0.03 c0.01 c0.01 c0.01

P947 P964 P973 P1266 P1273 P1894

-

-

0.48 0.01

PlOOO P3976

4356

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,l,l-TCA TCE Perk. MCB

Partition coefficient

1.6 1.o 1.7

1x/1/401 1x/1/401 1x/1/401

c0.01

P87

c0.01

P1377

keotrope I

L

Solute Ketones Acetone MEK MIBK Cyclohexanone NMP Acetophenone

"C

Reference

V/W

37

195

Reference

2.6 2.0

1x/1/401 1x/1/401

13909

Ethers Diethyl ether DIPE Dibutyl ether MTBE 1,4-Dioxane TH F Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DM F DMAc DMSO Sulfolane

1.2

1x/3/1371

2.4

1x/1/401

1.23

2f/527

1.8

CS2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Solute f

17 Jone

184

195 99

8789 10962 741

Reference

0.24 0.07

P491 P852

0.02

P1839

<0.01

P2743

0.04

P986

0.09

P515

0.82 14.8

P931 P386

0.24 0.02 <0.01 1.66 0.07

P282 P1710 P1438 P932 V3/234

1x/1/401

11200 10754

7.5 Jone 37 LO

Partition coefficient

1x/1/401

0.30

P260

eo.01

P1617

Alcohc

Ethanediol Alternative names Glycol, monoethyleneglycol, !,2-dihydroxyethane,

MEG, not ethyl glycol

Reference codes CAS number UN number

!072!

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

62 C2H6O2 !98 -!3 !.!!5

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dynlcm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.64

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

!!! 4!3 !.2E-6

Lower explosive limit (ppm) Upper explosive limit (ppm

32000

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

153 2.15 0.12

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

!

60 !25

Aqueous effluent Solubility in water (25°C o;oW/w) Solubility of water in (25°C %wlw) LoglO activated carbon partition LoglO partition in octanollwater (w/w) Biological oxygen demand wlw (days) Theoretical oxygen demand wlw

Hazchem code EPA code

46.5 20 1.429

Total Total !.!6 -!.93 0.!6 (5) !.29

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

14.6 2.31 37.7 79.0

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

12524 250 35 7.7 647 2682 2.41 2.25 55.92

8.09083 2088.936 203.454

Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

1550

Alcohols

Azeotrope

X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Alcohols

"C

Solute .p"

Reference

4434

229.0 384.0 806.0 1170.0 1710.0 1970.0

1x11133 1x11135 1x11/35 1x11136 1x11137 1x11137

None None 6 110 13 133 16 140 160

4255 4239 4285 432 1 4323 4372

148.0 45.7 76.9 86.7 110.0 200

1x11/34 lx/l/34 1x11135 1x/1136 1x11136 1x11137

None None None

1946 4195a

None

4213

WIW

Reference

None 3 98 11 124

4265 4312 4353

23

161

None None None 36 184

-

422 1 4257 4356

-

2.1 4.4 6,6

2.5

2dl6 2fll2

4.1 3.3 2.3

2d/8 2d/7 2dl14

-

1.9 0.9

None

4222

None

4268

None 6 119 6 130

2287 2163 4233

2a162 2c/297 2c/483

2f113 2b112

Partition coafficient

Reference

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

Solute

Reference

6.2 8.4

1xl3/971 1x/3/97 1

0.44

2f/17

4206 4204a

3.60

2d/3

4258 4261

6.9

2d/l5

1.5

2b/8

0.5

2bP

3.9

2bl16

5.1

2f/l

1.1 0.72

2d/ll ld173

Reference

Solute

52

186

4316

10

140

4354

None None

Esters Me acetate Et acetate i-Propyl acetate None n-Butyl acetate Cellosolve acetate None Miscellaneous DMF DMAc DMSO Sulfolane

Partition coefficient

Reference

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-N itropropane Acetonitrile Furfuraldehyde Phenol Water

24 59

181 186

4242 4238

None

4215

None 199 78 None

4214 4240 244

Alcohols

Diethylene glycol Alternative names DEG, 2,2-oxydiethanol Reference codes CAS number UN number

111 46 6

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

106 C4HlOOJ 245 -8 1.118

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.63

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

124 229 6E-7

Lower explosive limit (ppm) Upper explosive limit (ppm)

16000 108000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

25

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Total Total 1.86 -1.98 0.06 (5) 1.51

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole {D} Dielectric constant {20°C} Polarity {water 100} Thermal information Latent heat {cal/mol} Nett heat of combustion {kcal/gmol) Specific heat {cal/mol!'C} Critical pressure {MN/m2) Critical temperature {K) Latent heat of fusion {cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

2.31 31.7 71.3

48.5 34 1.445

3.68 0.019

12.83 7046.4 463.2

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

15900 567 58.4 4.7 680 4.00 3.57 94.8

Alcohols

lzeotrope (%

Solute

N/W ~

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,1-TCA TCE Perk. MCB Alcohols

~~

"C Reference

Solute

Reference

64.1 91.5 95.6 139.8 200.3 287.1 195.0 32.1 5.8 12.3 14.9 17.0 25.0

1x/1/139 lx/l/l41 lx/l/142 lx/1/144 1xJ11144 1x/1/145 1x/1/144 lx/l/l40 1x111139 2f/34 1 1x/1/143 1x/1/143 1x/1/144

Partition coefficient

Reference

~

Jone Jone \ZeO \zeo

8520 8531 8545 8547

-

-

0.92 1.3 1.5 1.4 1.9 1.7

1x/3/1079 1x/3/1079 1x/3/1079 1x/3/1080 1x/3/1080 1x/3/1080

2.5

1x/3/1080

-

e

e

~

zeotrope %

;01ute Yetones ketone M EK UlBK 2yclohexanone NMP ketophenone

"C

Reference

I/W

Solute

Reference

3.1 3.7 8.0

1x/3/ 1079 1x/3/1080 1x/3/1081

2.5

1x/3/1080

3.4 5.3

1x/3/107 9 1x/3/1080

Partition coefficient

Reference

8538

lone

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,bDioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatf Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

10

rlone

210

8518

386

0.6 2.3

2f/339 1a/353

Alcohols

1,2-Propanediol Alternative names Propylene glycol, not propyl glycol Reference codes CAS number UN number

57 55 6

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point {OC) Freezing point {OC) Specific gravity {20/4)

76 C3H802 187 -60 1.0362

Cubic expansion coeff (per °C x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.72

Fire hazards Flash point {closed cup °C) Autoignition temperature {OC) Electrical conductivity

99 421 6.0E-7

Lower explosive limit (ppm) Upper explosive limit (ppm)

26000 125000

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

212 2.52 0.16

Health hazards IDLH {ppm) OES-TWA OES-STEL Odour threshold {ppm)

150

Aqueous effluent Solubility in water {25°C o;oW/w) Solubility of water in {25°C %w/w) LoglO activated carbon partition Loglo partition in octanol/water {w/w) Biological oxygen demand w/w {days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

54 1.431

Total Total 1.43 -1.35

1.68

Vapour pressure equation constants (LOglO1mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

72

8.9545 2692.2 255.2

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

0.01

72.2 12844 436 45 6.1 624 3.28 2.78 73.7

Alcohols

zeotrotn? P/o

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics TetraI in Alcohols Methanol Ethanol n-Propanol iPropano1 n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-0ctanol Ethanediol DEG 1,2-PyopanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l,l-TCA TCE Perk. MCB Alcohols

"C

Reference

dw

Jone 2

110

6654 6658

.o

136

6665

-

-

Solute .p"

Reference

120 170 246

1x11168 1x11168 1xl1168

58.9 16.2 26.4

-

Partition coefficient

Reference

1x11168 1x11168 1x11168

1.1 1.4 1.5 1.7

2c/319 2c/491 2d147 2d1137

2.2 1.7

2d1139 2d/138

0.9

2b112

-

e e e

beotrope (% iolute

"C

UM

(etones ketone dEK dlBK $clohexanone JMP ketophenone 3hers Iiethyl ether IIPE Iibutyl ether ATBE 1,4-Dioxane THF

Reference

183

6664

136

6668

Esters Me acetate Et acetate i-Propyl acetate ?-Butyl acetate None %ellosolve acetate None

Solute f

Reference

3.1

2d/135

1.2

lx/3/1013

Partition coefficient

Reference

6655a 6656

~iscellaneous DMF DMAc DMSO Sulfolane 3 2

ketic acid 4niline Nitrobenzene Morpholine vridine &Nitropropane ketonitrile furfuraldehyde Phenol Water

43

None

180

6655

296

Alcohols

Section 3

Glycol ethers

Propylene glycol methyl ether Alternative names I-Methoxy-2-propanol,

PM, PGME

Reference codes CAS number UN number

107982

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

90 C4HlOO2 121 -139 0.924

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

32 290 4.5E-7

Lower explosive limit (ppm) Upper explosive limit (ppm)

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

100 300

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

1.03 27.0 1.9 1.407

11000 3.1 8.3 80

Total Total

0.16 (5) 1.95

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole {D) Dielectric constant {20°C) Polarity {water 100) Thermal information Latent heat {cal/mol) Nett heat of combustion {kcal/gmol) Specific heat {cal/mol/"C) Critical pressure {MN/m2) Critical temperature {K) Latent heat of fusion {cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

14.3 1.67

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

22 0.66

9180 682 49.5 552

97.4

Glycol ethers

hotrope (%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra1in Alcohols Methanol Ethanol n-PropanoI iPropano1 n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB ;/ycol ethers

"C Reference

VIW

30

qone

107

8512

6650a

-

Solute f

Reference

Partition coefficient

Reference

ueotrope :%

solute

"C Reference

vlw

Solute

Reference

Partition coefficient

Reference

Yetones ketone WEK MIBK Zyclohexanone VMP ketophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane TH F Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

55

97

384

Glycol ethers

Ethylene glycol methyl ether Alternative names Methyl cellosolve, EGME, 2-methoxyethanol,

ME, methyl glycol

Reference codes CAS number UN number

109 86 4 1188

Hazchem code EPA code

2(5)

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

76 C3HBO2 125 -85 0.966

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.92

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

38 288 1.0E-6

Lower explosive limit (ppm) Upper explosive limit (ppm)

25000 198000

2000 5

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

9300 2.6 7

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

90

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w Vapour pressure equation constants (LoglQ, mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/molfC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

10.8 2.0 16.9 66.7

33.0 1.6 1.400

Total Total 1.50 -0.77 0.50 (5) 1.68

7.8498 1793.982 236.877

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

34 0.47

9424 399 43 5.1 565

78.7

Glycol ethers

keotrope Solute Yydrocarbons ?-Pentane ?-Hexane ?-Heptane 7-Octane 7-Nonane ?-Decane 2,2 4-T MP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin rllcohols Methanol Ethanol n-Propanol i- Propanol n-Butanol i-Butanol s-Butanol n-Amyl aAlc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG l12-Propanediol

:% u/w

"C

!3 18 32

Reference

Solute f

Reference

93 110

6592 6614

13.1 4.4 28.4

1x/3/10 12 1x/1/67 1x/3/10 12

123

6628

78

6572 6567 6586 6596 6598

5.7 2.3 3.6 2.9 3.1 3.8

2b/128 2b/127 1x/3/1012 2b/132 2b/134 2d/l3 1

lone lone

1979 3982

1.1

1x/3/10 12

1.7

2c/490

lone lone lone lone Vone

6546 6548 6547 6560 6562

15 qone

!5 51 55

106 117 120

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 112-EDC 1 1I 1-TCA TCE Perk. MCB Glycol ethers

-

-

24 47

109 119

2178 6566

3.1

2fI99

2.4

2d/120

Partition coefficient

Reference

4zeotrope Y

Solute

"C Reference

Jv/W ~~

Solute

Reference

1.6 2.0

2dlll3 2b/122

1.5

1x/3/10 12

1.7

2bf126

2.4

2dl122

2.2

2fl103

1.7

2d/109

Partition coefficient

Reference

~

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone

25

114

657 5

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

58

122

6615

654 1

Yone

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate 48 Cellosolve acetatc Vone

119

6576 6583

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Vone

6550

lone lone 19

6549 6568 294

99

Glycol ethers

Ethylene glycol ethyl ether Alternative names Cellosolve, EGEE, 2-ethoxyethanol, EE, ethyl glycol Reference codes CAS number UN number

110 80 5 1711

Hazchem code EPA code

25

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

90 C4HloO2 135 -70 0.931

Cubic expansion coeff (per °C x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.97 28.2 2.5 1.405

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

43 235 9.3E-8

Lower explosive limit (ppm) Upper explosive limit (ppm)

18000 140000

6000 5

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

5300 3.1 4 75

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

50

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in(25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w Vapour pressure equation constants (Log1O,mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der.Waals' volume Van der Waals' surface area Molar volume

10.0 1.69 5.3 62.7

Total Total 1.95 -0.54 0.67 (5) 1.86

7.81910 1801.90 230

Kauri butanol value Evaporationtime {ether = 1) Evaporationtime {BuAc = 1)

43 0.32

9540 503 52

3.70 3.29 97.41

Glycol ethers

lzeotrope Reference

Solute ?/*

Reference

66 97 116 128

8442 846 1 8478 8493

6.0

2b1295

5.5

2b1302

None 11 109 43 126 50 128

8425 8450 8463 8465

2.0 2.4 2.9

2f/337 2d1299 2fI338

None

4032

None None

8105 8306

None None

8419 8420

-

-

-

-

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l,l-TCA TCE Perk. MCB Glycol ethers

5 14 38 50

16 32

116 127

2190 8423

2dl396

Partition coefficient

Reference

~

Azeotrope

K% Solute

"C Reference

w/w

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone

None

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

50

Solute

Reference

1.o 1.6

2f1332 2f1334

757 1

1.5

2f1335

8434 8400

1.6

2bl294

1.9

11450

Partition coefficient

Reference

8433

127

Esters Me acetate Et acetate None i-Propyl acetate n-Butyl acetate 13 126 Cellosolve acetate None

8479

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile FuduraIdehyde Phenol Water

Yone 15 Vone Vone 13

8407 119

98

6279 8406 8426 382

Glycol ethers

Ethylene glycol monobutyl ether Alternative names Butyl glycol, butyl cellosolve, EB, 2-butoxyethanol,

EGBE

Reference codes CAS number UN number

I11 76 2 2369

Hazchem code EPA code

2R

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

118 C6H14O2 171 -75 0.902

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.92 27.4 6.4 1.417

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

68 214 4.3E-7

Lower explosive limit (ppm) Upper explosive limit (ppm)

11000 106000

700 25

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

922 4.07 0.7 75

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

0.5

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/moI/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

8.9 1.80 5.3 60.2

2.40 +0.83 0.60 (5) 2.3 7.8448 1988.90 230.00

Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

119 0.06

10266 778 55 3.2 641 5.05 4.37 131.84

Glycol ethers

ueotrope :%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2 2 4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 112-Propanediol

Glycol ethers

Reference

4one

36 140 lone !O 160

8166

lone

11712

-

Jone Jone

Solute f

Reference

3.3

2bl432

1.3

2fl440

1.1

2fi89

-

-

12235 12252

lone

Glycol ethers PGME EGME EEE EGBE Chlorinafed MDC Chloroform Carbon tet. 112-EDC 1 1 1-TCA TCE Perk. MCB

"C

VIW

2218 10521

Partition coefficient

Reference

keotrope (%

Solute

"C Reference

VIW

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF

Solute Y

Reference

1.4

2bl430

0.73

11526

Partition coefficient

Reference

12247

lone

Esters Me acetate Et acetate lone i-Propyl acetate n-Butyl acetate Jone Cellosolve acetate lone

7590 11823 11989

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Ani Iine Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

11153 10710

Jone Jone

.2 17 !1

161 186 99

8769 10904 584

Glycol ethers

Chlorinated solvents

Methylene chloride Alternative names Dichloromethane, MDC, methylene dichloride, not methyl chloride Reference codes CAS number UN number

75092 1593

Hazchem code EPA code

2Z UO80

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

85 C1H2CI2 40 -95 1.326

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.37 28.1 0.44 1.4211

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

None 605 4.3E-11

Lower explosive limit (ppm) Upper explosive limit (ppm)

130000 220000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

5000 50 300 250

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

495000 2.95 376 0.9

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

1.30 0.20 2.9 +1.25 O

(5)

0.56

Vapour pressure equation constants (Log1Q, mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

9.7 1.8 9.1 30.9

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

6715 122 24 6.08 510 1436 2.26 1.99 64.50

7.0803 1138.91 231.45 6.91821 1090.1

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

136 1.8 25.0

Chlorinated solvents

beotrow

t% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol

"C

NlW

Reference

$9 36 lone

1571 1575

33 35 lone

38 40

Solute r"

Reference

2.9

6allOO

4.1

1x/3/923

1.o

1d31923

Partition coefficient

Reference

2d24 2d283 2d416 2fl36

9.28

V4/118

1561

7.9 43.7 4.1 4.1

-

-

-

-

-

1544 1551

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Chlorinated solvents

Jone

1426

0.7 0.9 1.o 1.2 1.5 0.9

a202 8/62 81263 1xl31923 1x/31923 81256

keotrope (%

"C

Solute f

Reference

Solute

VlW

Reference

Ketones Acetone MEK

lone lone

1553 1564

1.1 0.4

3b127 3 +4/26 1

1566

0.7

3 +41492

0.4

1x/3/92 3 0.09

0.5 0.4

51347 51449

0.8

W265

0.45 0.8

81264 81266

4.2

5164

0.6

81267

1.2 1.2

81258 3a/115

Partition coefficient

Reference

0.39

V41120

3.24

V2136

MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

70

41

Esters 1557

Me acetate lone Et acetate i-Propyl acetate n-Butyt acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

55

36

1546

lone

39

1170

38

208

1324.0

111

Chlorinated solvents

Chloroform Alternative names Trichloromethane Reference codes CAS number UN number

67 66 3 1888

Hazchem code EPA code

2Z UO44

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

119 C1HICI3 61 -23 1.480

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.29 27.16 0.57 1.444

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

None None <1.0E-10

Lower explosive limit (ppm) Upper explosive limit (ppm)

None None

1000 2

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

300

Aqueous effluent Solubility in water (25°C %wlw) Solubility of water in (25°C %wlw) Log1Oactivated carbon partition Log1Opartition in octanollwater (wlw) Biological oxygen demand wlw (days) Theoretical oxygen demand wlw

0.82 0.072 3.6 +1.97 0.02 (5) 1.35

Vapour pressure equation constants (LoglOt mmHg) Antoine equation A B C Cox chart A B

6.95465 1170.966 226.232 6.97909 1192.6

Solvent properties Solubility parameter Dipole (D} Dielectric constant (20°C} Polarity (water 100}

9.3 1.1 4.8 25.9

Thermal information Latent heat (cal/mol} Nett heat of combustion (kcal/gmol} Specific heat (cal/mol/OC} Critical pressure (MN/m2} Critical temperature (K} Latent heat of fusion (cal/mol} Van der Waals' volume Van der Waals' surface area Molar volume

70.21 91 27 2.38 536 2097 2.87 2.41 80.41

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

286000 4.13 169 1.0

1.9

Chlorinated solvents

AzeotroDe

X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol iButa no1 s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-Propanediol

"C

WIW

Reference

Solute f'

Reference

None 83 60 None

1482 1495 1500

2.1 1.9 1.4 2.1

1x/3/992 6al426 6bl77 1x/3/922

None None None

1490 1486 1498

0.86 0.75

1x/1/4 71352

87 53 93 59 None 61 96

1430 1442 1454 1453

7.4 4.3

2d23 2d285

6.6 2.7

2dl40 2bl136

None None

1475 1472

Partition coefficient

Reference

3.5 1.07 0.24 0.34 0.05 0.07 0.08

P160 P373 P640 P65 1 P952 P964 P976

-

-

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,1-TCA TCE Perk. MCB

None

1426

0.8

81202

-

-

-

-

None None

1086 1435

None None

1431 1484

1.1 1.1 1.o 1.1 1.2 0.8

8/56 1x/3/92 1 1x/3/92 1 1x/3/92 1 812 15 81244

Chlorinafed solvents

Azeotrope Solute

X% w/w

"C

Reference

Solute

Reference

Partition coefficient

Reference

~

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

78 64 17 80 None

1443 1460 1492

0.06

3bl426

1474 1496 1501a

0.4 0.5 0.4

3+4/486 3+4/537 3 4/59 1

None 66 73

1465 1464

0.3 0.25

3 +4/44 1 1x/1/4

1448 1466

0.43 0.23

51341 51443

1493

0.41

51574

Miscellaneous DMF DMAc DMSO Su lfolane Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Fudura ldehyde Phenol Water

3 4/90 3+4/260 3 +4/343

None 36 71 None

Esters Me acetate 77 65 Et acetate 28 78 i-Propyl acetate n-Butyl acetate None Cellosolve acetate

cs2

+

0.5 0.4 0.3

None None

1169 1437

None

1485

None

1480a

None None

1433 1480

97

56

P493

0.03

V41115

0.32

v41113

1.04 0.007

V2118 P1714

0.006

P1102

0.07

P1627

+

0.18

81229

1.3 4.2

812 13 5162

0.35

81240

1.2 10.7

0.03

812 17 3+4/36

207

Chlorinated solvents

Carbon tetrachloride Alternative names Carbon tet., CTET, tetrachloromethane Reference codes CAS number UN number

56 23 5 1846

Hazchem code EPA code

2Z U211

Physical properties Molecular weight Empirical formula 8oiling point (OC) Freezing point (OC) Specific gravity (20/4)

154 ClCI4 76 -23 1.58

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.27 27 0.97 1.459

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

None None 4.0E-18

Lower explosive limit (ppm) Upper explosive limit (ppm)

None None

300 2

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

96

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.077 0.008 4.3 +2.64 0 (5) 0.21

Vapour pressure equation constants (Log10t mmHg) Antoine Equation A B C Cox chart A B

6.84083 1210.595 229.664 7.02433 1267.9

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

8.6 0 2.24 5.2

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7238 62 32 4.56 556 784 3.39 2.91 97.5

Chlorinated solvents

Kauri butanol value Evaporationtime (ether = 1) EvaporationTime (BuAc = 1)

150900 5.34 99.6

1.8

Azeotrope

K% Solute Hydrocarbons n-Pentane n- Hexane n-Heptane n-Octane n-Nonane n- Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol D EG lI2-Propanediol

"C

Chlorinated solvents

Reference

2d276 2d509

4.76

P382

2b136

2.45 0.32

Val0

0.05

P1269

-

-

Reference

None None None

1162 1167 1168a

1.3 1.3 1.o

6a/403 6b/67 6b/234

None None None None None None

1168b 1159 1154 1166 1167a 1167c

1.4 1.1 1.1 1.o 0.9 0.9

6bl285 6d142 717 71332 71464 71480

1090 1105 1116 1115 1133 1137 1134 1147a 1149

10.3 20.5 14.5 6.7 9.5

79 54 92 52 98 95 92 None None

56 65 73 67 77 76 75

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l,l-TCA TCE Perk. MCB

Partition coefficient

wlw

1086

Vone 30 be0 Vone Vone Vone

75

1098 1093 1091 1152

Solute f

5.4

Reference

2d1

2fl109 2f/2 17

4.9

2f199

1.1 1.o

8/63 8/55

-

1.5 1.2 0.7 1.o 1.4

P958

-

8/96 8/82 8/80 8/78 81164

AzeotroDe X%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF Esters Me acetate Et acetate i-Propyl acetate v-Butyl acetate Cellosolve acetatc

"C Reference

WIW

12 71

56 74

1108 1121

None None

1136 1163

None

1124

None 57 75 None None

1110 1125 1145 1161

Miscellaneous DMF DMAc DMSO Sulfolane 2S2

4cetic acid Wine Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

None 98 76 None None

1153

None 83 65 None None 96 66

1114 1095 1140 1155 205

1085 1099

Solute f

Reference

+ +

Partition coefficient

Reference

0.26

P502

0.06

V41107

0.05

P519

2.3 1.8

3 4/80 3 41259

0.9

3bl495

1.1

3+4/529

1.6 0.9

3 41440 3+4/429

1.6 1.4

51339 51436

0.8

51573

5.4

8/117

5.9

V41106

18.5

81107

3.8

P387

1.2 12.2 6.0 0.7

8/76 5/59 81174 81168

6.0 0.07

v2112 P1720

2.0 3.2 9.6 3.8 3.4

81141 81120 8/86 3+4/35 2bl355

0.04 0.31

P1652

+

Chlorinated solvents

1,2-Dichloroethane Alternative names Ethylene dichloride, EDC Reference codes CAS number UN number

107 06 2 1184

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

99 C2H4CI2 83.5 -36 1.253

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

13 413 4E-11

Lower explosive limit (ppm) Upper explosive limit (ppm)

62000 169000

1000 5

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

94000 3.4 71

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

400

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.81 0.15 3.8 3.6 0.002 (5) 0.97

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B

7.02530 1271.254 222.927 7.04532 1303.5

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

9.8 1.8 10.45 32.7

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7623 269 31 5.38 563 2091 2.93 2.53 78.87

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

2YE UO77

1.16 32.2 0.9 1.444

2.7

Chlorinated solvents

Azeotrope

K% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane +Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol iPropanol n-Butanol i-Butanol s-Butanol n-Amyl alc. /-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol

"C

b41W

Reference

None 76 81

3003 3009

50 74 20 80 None

3001 2999 3006

58 53 Vone 57 \one 34 38

1930 2964 2971 2970 2984 2988 2985

61 71 73 83 82

Vone

2995

qone

1435 1098

Solute f

Reference

4.8 3.6 3.4

1x/1/18 1x/1/19 6c/444

3.4 3.1 1.1 1.1 1.o 1.3

lxll/l9 6all59 71142 71380 71466 71490

11.2 4.9 5.1 4.9 3.2 4.2 2.7 3.6

2d44 2a1299 2d520 1x/1/18 2b l l 3 7 2b1272 2f1220 2fl375

1.0 1.o 1.8

a263 1x/3/957 1x/3/957

Partition coefficient

Reference

7.9

V2183

1.2

V21207

-

-

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. l12-EDC 1 1,l-TCA TCE Perk. MCB Chlorinated solvents

!O 57

75

82

-

2281

-

1.6 1.4 1.7

-

a363 81351 a340

keotrope (%

Solute ~~

"C

ulw

Reference

Solute

Reference

lone

2966 2977

0.8 0.8 0.8

3+4/144 3bl271 3bl519

Partition coefficient

Reference

<0.01

P2746

0.98

V4/180

1.61 <0.01

vu202 P1721

0.14

V4118 1

~~

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,440xane TH F Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatc

beo

Jone lone

2987 3004

lone

2979

0.9 0.7

3+4/447 W31957

Jone lone

2980 2992

0.8

lx/l/l8

lone

2961

2.6 4.4

lx/lll7 5/74

0.9

1x/1/18

1.4 1.1

8/364 3alll9

Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

il

11

79 72

2757 227

Chlorinated solvents

1,1,1-Tricloroethane Alternative names Methyl chloroform, TCA, chlorothene, M.C., not 1,1,2-trichloroethane Reference codes CAS number UN number

71 55 6 2831

Hazchem code EPA code

2Z U226

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

133 C2H3CI3 74 -30 1.338

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.3 30 0.65 1.438

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

None 537 7.3E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

65000 155000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

350 450 300

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

154700 4.62 101.8 0.1

Aqueous effluent Solubility in water (25°C o;oW/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.13 0.03 4.3 4.0 0.48

Vapour pressure equation constants (Log1o. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

7.7 1.7 7.25 17.0

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7780 233 32 4.4 550 651.7 3.54 3.03 100.4

6.90633 1211.31 226.816 7.01846 1257.7

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

124 2.6 6.0

Chlorinated solvents

4zeotrope

t% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

"C Reference

N/W

29

78

67

56

Solute f

2730b

Reference

1.3

6d473

1.o

7112 1

1.6

2f/123

24.8

2fI373

Partition coefficient

Reference

0.11

V4/158

-

-

1923

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Chlorinated solvents

Leo 4one

2729

-

1.o 1.1 1.2

-

1.o

1x/3/948 8/82 1x/3/948

-

1x/3/948

~~

keotrope

K% Solute

"C

Reference

NlW

Solute

Reference

Partition coefficient

Reference

0.04

V41160

0.04

V41159

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile FurfuraIdehyde Phenol Water

96

65

Chlorinated solvents

Trichloroethylene Alternative names 1 ,2,2-trichloroethylene,

trike, TCE, triclene, trilane, trichloroethene, not trichlorethane

Reference codes CAS number UN number

7901 1710

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

Hazchem code EPA code

2Z U228

131 C2HlCI3 87 -86 1.464

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.17 29.5 0.57 1.475

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

32* 420 8E-12

Lower explosive limit (ppm) Upper explosive limit (ppm)

80000 105000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

500 100 150 200

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

80260

6

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C o;oW/w) Log1Oactivated carbon partition Loglo partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure {MN/m2) Critical temperature (K) Latent heat of fusion (car/mol) Van der Waals' volume Van der Waals' surface area Molar volume

56.5 6.6

0.11 0.033 5.0 +2.29 0.61

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

4.55

8.0 0.9 3.42 16.0

6.51827 1018.603 192.731

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

130 3.1 4.9

7467 206 30 4.90 571 3.31 2.86 90.01

*Very resistant to flashing. Chlorinated solvents

Azeotrope Solute

X% wlw

Reference

Solute T

Reference

None None None

1482 2330 2335

1.5

6a1463

17 80 None

2328 2326

1.3 1.o 0.8

6dl55 71114 71370

62 71 83 70 97 91 85

1915 2286 2296 2295 2306 2309 2307

6.9 7.3 2.7 3.1 3.7

2a140 2al295 2 d 5 18 2dl43 2fl121

3.8

2fl2 17

1.1 1.o 1.4 1.o

1xl31943 1xl31943 813 5 1 1xl31943

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics TetraIin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

"C

59 72 82 75 87 85 84

None

232 1

None

2287

None 33 82

1093 2281

-

-

Partition coefficient

Reference

8.9 2.03 0.24

V2/79 CEH V41152

0.08

v41154

-

-

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB

Chlorinated solvents

-

-

1.6

813 2 6

Azeotrope Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxa ne THF

X% wlw

"C Reference

Solute f

Reference

None None

2289 2299

1.o 1.3 1.1

3b15 1 3 +4/264 3bl517

None

2331

None

2301

Esters Me acetate None Et acetate i-Propyl acetate None n-Butyl acetate Cellosolve acetatc

Partition coefficient

Reference

0.05

v21157

0.05

V41151

1.o

51454

0.6

51575

2282

4.7

5172

2.7

v21151

2280

5.5 3.1

81349 3+4137

0.03

V4l155

2302 2317

Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

96

71 94

86

75 73

218

Chlorinated solvents

Perchloroethylene Alternative names Tetrachloroethylene, perk, tetrachloroethene Reference codes CAS number UN number

127 18 4 1897

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

166 C2CI4 122 -36 1.63

Cubic expansioncoeff (per oC x !03) Surfacetension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractiveindex (25°C)

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

None None 5.5E-4

Lower explosive limit (ppm) Upper explosive limit (ppm)

None None

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

400 50 150 300

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

20600 5.8 15.4 0.5

Aqueous effluent Solubility in water (25°C o;oW/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

1.02 32 0.88 1.504

0.015 0.0105 5.4 +2.60 0.06 (5) 0.39

Vapour pressure equation constants (LoglOt mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

2Z U210

4.5 0 2.3

7.62930 1803.96 258.976

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

90 6.0 2.6

8316 162 35 4.48 613 3.89 3.40 101.84

Chlorinated

solvents

Azeotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C, Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,,l-TCA l TCE Perk. MCB Chlorinated solvents

X% w/w

OC

Reference

2217a

None 92

120

6a1453

1.3

71112

Reference

2.6

CEH

21.7

CEH

-

-

2227

36 37 30 52 71 60 43 85 81

64 77 82 94 109 103 97 117 116

1914 2162 2176 2177 2186 2189 2187 2201 2203

94

119

2163

95 76 54 None

121 110 116

2205 2178 2190 2218

-

1.5

Partition coefficient

2220 2225 1167c

None None None

None None

Reference

1431 1091

-

16.4 5.4

2af37 2~1285

5.9 3.8

2d/42 2d/l55

3.3

2d1240

1.1 1.2 1.o 2.0

8/2 56 812 15

1.1

-

8/78 81340 W327

-

Azeotrope

K% Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

"C

wlw

Reference

Solute .p"

Reference

Part coefficient

Reference

None

2168

2.6

3bl49

4.2

CEH

0.08

v41149

48

114

2209

2181

None

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate 79 Cellosolve acetate

120

2210

51

107

2158

52

113

2192

2.0

81346

2191

4.3

34117

Miscellaneous DMF DMAc DMSO Sulfolane 1.4

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Vone

34

88

8.316 7.25

v21147

0.05

v41150

217

.

~~

Chlor sted solvents

Monochlorobenzene Alternative names Chlorobenzene, MCB, phenyl chloride Reference codes CAS number UN number

108 90 7 1134

Hazchem code EPA code

2Y UO37

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

113 C6H5Cil 132 -46 1.106

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.98 33 0.8 1.523

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

29 640 7E-11

Lower explosive limit (ppm) Upper explosive limit (ppm)

13000 71000

2400 50

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour Pressure @21°C mmHg POCP

12650 3.9 9.5

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

1

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.049 0.033 4.9 +2.84 0.03 (5) 2.05

Vapour pressure equation constants (Log10t mmHg) Antoine equation A B C Cox chart A B

7.17294 1549.200 229.260 7.18576 1558.4

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

9.5 1.3 5.62 18.8

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

8814 754 35 4.52 632 2305 3.81 2.84 102.24

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

90 10.0

Chlorinated solvents

Azeotrope X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane &Decane 2 2 4-T MP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetrali n Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

Chlorinated MDC Chloroform Carbon tet. 112-EDC 1 1,l-TCA TCE Perk. MCB

Reference

Solute Y

Reference

None None None

10519 10531 10536

1.6 1.8 2.2

6d529 6bll19 lX13I1175

1.5

6b1392

None None None None None

10515 10509 10524 10532 10534

1.3 1.o 1.o 1.o 0.9

6aI202 71243 714 16 71469 71508

None None 20 None 44 37 None 75 66 None

2063 4070 6489 6273 8133 833 1 8230 9747 9819

4.9 4.2 3.0 3.4 2.5 2.8 2.8

2d204 2d397 2d552 2d164 2b175 2dl357 2 b1258

2.6

2b1395

3.4

2d1120

94

Glycol ethers PGME EGME EEE EGBE

"C

wlw

97 115 107 126 124 130

4233

None 53 119 68 127 None

9960 6566 8423 10521

1484 1152

None None

-

Chlorinated solvents

-

1.2 1.2

81244 81166

-

-

Partition coefficient

Reference

0.16

P3988

-

-

keotrope (%

Solute Ketones Acetone MEK MIBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

"C Reference

N/W

5372

\one \one \one \one

10512

None

10537

Esters Me acetate None Et acetate i-Propyl acetate None n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane CS2 Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

7578

Reference

1.3 1.3 1.1

3+41192 3 +4/283 3131543

0.9

1x/311175

1.2 1.4

51374 51492

1.8 1.1

a1527 1x/3/1175

Partition coefficient

Reference

0.17 0.08

vu477 V3122

3.7

CEH

0.08

V31226

0.32 0.01

VU176 V41255

10516

41 115 None None

None None None 72

Solute f

90

3160 10511 10508

2794a 8758 10510 484

3.3

81381

Chlorinafed solvents

Section 5

Ketones

Acetone Alternative names Propan-2-one, dimethyl ketone Reference codes CAS number UN number

67 64 1 1090

Hazchemcode EPAcode

2YE UOO2

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

58 C3H60l 56 -95 0.790

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.4 23.3 0.33 1.357

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-18 465 5E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

26000 128000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

20000 750 1500 300

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

342800 2.0 194 17.8

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Loglo activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Total Total 1.74 -0.24

1.22

(5)

2.21

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

10.0 2.9 20.6 35.5

Thermal information Latent heat (cal/mol) Nett heat of combustion {kcal/gmol) Specific heat (cal/mol/OC) Critical pressure {MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7076 395 30 4.8 508 1358 2.57 2.34 73.4

7.11714 1210.596 229.664 7.18990 1232.4

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

1.8 5.6

Ketones

Azeotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l, 1-TCA TCE Perk. MCB Ketones

X% w/w

"C

21 59 90 None None None None 67 None None None None None

32 50 56

Reference

Solute ?p"

Reference

5368 5385 5393 5395

5.8 5.1 5.5 8.4 6.2 6.7 8.2 4.3 1.4 1.6 2.1 2.6 1.6

3+4/190 3+4/225 3+4/242 3b/224 3b1236 3 +4/247 3b/225 3 412 13 3 +4/195 3+4/236 3b1217 3b/222 3b1233

1.8 1.7

2a/68 2a/32 1

2.4 1.6 1.2

2 b/43 2 b/l40 2f/304

None

4.6

2d/510

None

2.9 1.o

2dIll3 2f1332

5396 53

5378 5374 539 1

88 55 None None None None None

1963 3965 5320 5319 5344 5347

+

None 22 64 89 56 None

1553 1443 1108 2966

0.7 0.6 2.3 1.0

3 b/2 7 3 4/90 3 4/80 3+4/144

None None None

2289 2168 5372

2.7 3.7 1.6

3b149

+

+

3 b/5 1 3+4/192

Partition coefficient

Referenc

Azeotrope

K% Solute

Ketones Acetone MEK MIBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane TH F Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

"C

N/W

Reference

Solute T

Reference

-

-

-

-

None None

5330 5382

0.9 1.1

3+4/173 3b1196

None 61 54

5346 5386

1.4

3+4/177

None

5333

1.4

1x/3/991

50 55 None None None

5310 5334 5365 5383

1.3 1.2

3+4/159 3+4/176

1.1

3bl197

None

3.1

3 41164

None

1.2

3 b/80

Partition coefficient

Reference

+

33 39 None None

1194 3101

3.6 1.4 0.9

3+4/132 3+4/148 3b/183

None

5353

2.1

3+4/181

None

2762

1.o

3+4/143

None None

5375 269

5.3

1x/3/993

Ketones

Methyl ethyl ketone Alternative names MEK, butan-2-one Reference codes CAS number UN number

78 93 3 1193

Hazchem code EPA code

2YE U159

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

72 C4H8Ql 80 -87 0.805

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.3 24.6 0.41 1.377

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-6 485 3.6E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

18000 100000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

3000 200 300 30

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

112000 2.50 75.3 42.3

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

26 12.0 2.25 +0.29 2.14 (5) 2.44

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B

7.06356 1261.340 221.969 7.22242 1345.9

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

9.3 2.8 18.5 32.7

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7848 540 38 4.16 535 1790 3.25 2.88 89.44

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

2.5 4.6

Ketones

Azeotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Ketones

X% wlw

"C

29 70

64 77

None None 40 72 45 78 None None

30 64 61 74 None 68 78 None None None

Reference

Solute

Reference

7376 7384

3.4 2.9 3.2 6.0

1x/3/1044 3+4/302 3+4/311 3 +4/3 17

7374 7369 7382

5.0 4.3 3.3 1.2 1.6 1.9 1.3

3bl396 3bI395 3 +4/297 3+4/284 3+4/308 3 +4/3 16 3bl382

2.0 2.3 1.6 1.6 0.9

2al133 2al343 2c/496 2bl54 2fl144

1.3

2bl239

1993 4005 6445 6335 7357 7360 7358

None

1.8 1.6 2.4

2b/122 2fl334 2b/430

+

None 93 80 29 74 24

1564 1460 1121 2977

0.6 0.5 1.5 0.7

3 41/26 1 3+4/260 3 412 59 3bl271

None

2299

1.1 2.5 1.5

3+4/264 3bl265 3 +4/283

None

+

Partition coefficient

Reference

0.12

CEH

0.25

v31225

0.22

v3117

8.16

V214 18

0.08

CEH

Leotrope Reference

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

lone

Vone

Esters Vone Me acetate 12 77 Et acetate i-Propyl acetate Vone n-Butyl acetate Cellosolve acetatf

5330

cs2

16 46 None

0.9

Reference

+

3 41173

-

-

1.o

3+4/300

1.5

3bl357

7344

1.2

1x/3/1044

5519 7345 7366

1.o 1.1

3 412 7 1 3+41278

1.4

3bJ289

3.0 1.6

1x/1/97 3 41269

1.5

3b1316

1.1

1x/1/98

1.2

3b1268

0.1 6.9

2b1358 1x/1/99

-

Miscellaneous DMF DMAc DMSO Sulfolane Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Solute g

1216 3117

None 73

6272

None B9 73

7370 338

Partition coefficient

Reference

0.30

V412 15

0.21

P326

-

-

+

+

Ketones

Methyl isobutyl ketone Alternative names 4-Methyl-2-pentanone,

MIBK

Reference codes CAS number UN number

108101 1245

Hazchem code EPA code

U161

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

100 C6Hl2Ol 116 -84 0.801

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.94 23.6 0.61 1.394

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

13 459 5E-8

Lower explosive limit (ppm) Upper explosive limit (ppm)

14000 75000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

50 8

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition Loglo partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

21700 3.47 16.5 63.3

1.7 1.9 3.05

2.06 2.2

Vapourpressure equation constants (Log1o.mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

8.4 2.81 13.1 27

6.67272 1168.408 191.944 7.27155 1519.2 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

5.6 1.4

8500 672 46 3.27 571.5 4.60 3.95 125.8

Ketones

Azeotrope

K% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i- Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,l ,l-TCA TCE Perk. MCB Ketones

"C

Reference

w/w

13 65

Solute r"

Reference

2.3 2.5 2.1 2.0

1x/3/1233 1x/1/273 3bl550 1VU273

1.9 1.2 1.o 1.1

1x/1/373 3 +4/354 3 4/35 1 3 +4/356

1.6

3bl553

98 113

11801 11805

None None 3 111 None None

11685 10857 11799 11802

None None

2084 4101

2.1 2.5

2al248 2c/423

None 70 114 9 108

6386 8152 8343

1.5 2.5

2b/96 2b/193

30.2

2fl380

None

9836

75 114 None

6575 8433

None

1492

52 Yone

114

2209

Partition coefficient

Reference

8.65

V2l430

+

0.5 1.1 0.8 0.9 1.1

3+4/343 1x/3/1233 3bl519 1x/3/1233 3bl517

1.o

3bI543

~

rzeotrope :%

olute

etones cetone 1 EK 1IBK yclohexanone IMP cetophenone

"C

VIW

Reference

(one

5382

Solute f 1.2

1.1

-

-

Reference 1x/1/273 3 +41300

-

Partition coefficient

0.12

-

Reference V21485

-

then liethyl ether IIPE libutyl ether ITBE ,4-Dioxane 'HF

1.2

3bl523

1.9

3bl527

1272 3175

1.8

3+4/345

8849

1.o

3bl53 1

sten Ae acetate :t acetate .Propyl acetate t-Butyl acetate :ellosolve acetatc Aiscellaneous )MF )MAC IMSO iulfolane :Sp \cetic acid hiline rlitrobenzene dorpholine vridine !-Nitropropane ketonitrile %rFuraldehyde 'henol Nater

None None

40

76

115

88

537

1.4

3al126

10.6

1bl337

0.32

V21285

0.08 0.03 co.01

V21183 v31193 v31295

Ketones

Cyclohexanone Alternative names Cyclohexyl ketone, sextone Reference codes CAS number UN number

108941 1915

Hazchem code EPA code

3Y UO57

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

98 C6HIOOl 156 -32 0.948

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.94

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

43 420 5E-18

Lower explosive limit (ppm) Upper explosive limit (ppm)

11000 94000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

5000 25 100 1

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

3963 3.40 3.1

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

2.3 8.0 3.0 +0.81 1.23 2.61

Vapour pressure equation constants (Log1o. mmHg) Antoine equation A B C Cox chart A B

7.47050 1832.200 244.200 7.32768 1716.5

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

9.9 3.1 18.2 28

Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

34.5 2.2 1.448

41 0.25

9016 788 48 3.8 629 4.14 3.34 104.2

Ketones

Leotrope (%

Solute Hydrocarbons +Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propano1 i- Propano1 n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI

u/w

"C Reference

Uone Uone

qone

11367

Solute

Reference

3.7 4.1 4.4 4.9

1x/ 11257 1x/1/258 3b/509 1x/3/12 10

1.6 0.9

1.o

3b/505 3b/503 3+4/339

1.5

3bl511

2.1

1x/3/1210

Ketones

0.4 0.3 1.2

(one

Reference

3.4

V2/428

0.03

P3981

11357

Glycol ethers .PGME EGME EEE EGBE Chlorinated M DC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB

Partition coefficient

10512

1x/1/256 1x/1/256 3b/495

~

zeotrope %

Solute

"C

I/W

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone

Reference

-

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatc Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

rlone

11144

rlone !8 185 96 $3

8762 10889 506

Solute f

Reference

1.3 1.o

1x/1/256 1x/3/1210

-

-

2.5

3b/506

1.o

1x/3/12 10

1.3

1x/1/256

1.8

3b/500

1.9

1x/1/356

1.4

1x/1/256

0.1 5.93

2b/368 1/5 11

Partition coefficient

Reference

Ketones

n-Methyl-2-pyrrolidone Alternative names M-pyrol, NMR 1-methyl pyrrolidone Reference codes CAS number UN number

872 50 4

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

99 CsHgN1Ol 202 -24 1.03

Cubic expansion coeff (per oC x 103] Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.9 40.7 1.8 1.468

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

95 287 2E-8

Lower explosive limit (ppm) Upper explosive limit (ppm)

21800 122400

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

395 3.44 0.3

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

100

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Total Total

1.1 (5) 2.18

Vapour pressure equation constants (LoglOt mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water lOO) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/moI/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

11.0 4.1 32.2 36

8.27890 2570.30 273.150

Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

0.04

12600 667 40 722 6207 3.98 3.20 96.1

Ketones

4zeotrope (%

Solute

N/W

"C Reference

Solute Ip" ~

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics TetraIin Alcohols Methanol Ethanol n-Propanol i- Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI

Reference

~~

10.2 11.3 10.5 12.1 13.9 15.9 14.4 5.9 1.2 1.5 1.8 1.8 2.0

lx/1/17 1 1x/1/174 lx/l/176 1x/1/176 1x/1/177 1x/1/177 1x/1/177 1x/1/173 1x/1/172 1x/1/175 1x/1/176 lx/l/1125 3b/463

0.5 0.6 0.7 0.75 0.7 0.7

1x/1/169 1x/1/169 1x/3/1118 lx/l/169 1x/3/1119 1x/3/1119

0.6

2f/4 11

0.05

2f/17

0.4 0.4 2.3

1x/3/1117 1x/3/1117 lx/3/1117

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Ketones

Partition coefficient

Reference

I rzeotrope :%

Solute

VIW

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone

-

"C

Reference

-

Solute Y

Reference

1.3 1.4

1x/11169 1x/11170

-

-

1.2

1x/3/1119

1.6 1.9

1x/1/169 1x/311119

1.15

la1379

Ethers Diethyl ether DIPE Dibutyl ether MTBE 1,CDioxane TH F Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate

Partition coefficient

Reference

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Vone

416a

I

Ketones

Acetophenone Alternative names Acetylbenzene, methyl phenyl ketone Reference codes CAS number UN number

98 86 2

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point {OC) Freezing point {OC) Specific gravity {20/4)

120 C8H80l 202 + 19.6 1.024

Cubic expansion coeff (per °C x 103) Surface tension (@30°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

Fire hazards Flash point {closed cup °C) Autoignition temperature {OC) Electrical conductivity

82 570 3E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

1.0

Vapour concentration @21°C ppm Vapour density {relative to air) Vapour pressure @21°C mmHg POCP

Health hazards IDLH {ppm) OES-TWA OES-STEL Odour threshold {ppm)

10

Aqueous effluent Solubility in water {25°C %w!w) Solubility of water in {25°C %w!w) LoglO activated carbon partition LoglO partition in octanol/water {w!w) Biological oxygen demand w/w {days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

461 4.17 0.35

0.55 1.70 3.84

2.53

Vapour pressure equation constants (LoglOt mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

0.84 12 1.74 1.532

2.9 17.4 30.6

7.2273 1774.6 206.3

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

0.03

10032 949 54 3.8 428 4.69 3.61 117.4

Ketones

hotrope (%

Solute

"C

M/W

Reference

Wydrocarbons v-Pentane v - Hexane v- Heptane a-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol

None

13 195 48 186 None 184

Solute ?p"

Reference

5.4 6.4 6.0 7.6 7.3

1x/1/363 1x/1/363 1x/1/363 lx/3/1345 1x/1/364

4.7 1.6 1.3 1.7 1.8

1x/1/363 1x/1/363 1x/3/1345 1x/1/363 1x/1/364

3.5 3.3

1x/1/362 1x/3/1345

1.1

2b/251

0.6 0.6 1.7

1x/1/362 1x/1/362 1x/1/362

13909 4316 8538 6664

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Ketones

Partition coefficient

Reference

keotrope :%

Solute

"C) Reference

vlw

Ketones Acetone M EK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane TH F

Solute

Reference

1.oo

1x/3/1345

-

-

0.9

1x/3/1345

2.1

l.x/1/362

1.7

1x/1/362

0.5 6.44

2fl402 1a1460

Partition coefficient

Reference

-

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

10733

done

0.02 .8

98

671

v31205

Ketones

Section 6

Ethers

Diethyl ether Alternative names Ethyl ether, ethoxy ethane, ether, ethyl oxide, sulfuric ether, not petroleum ether Reference codes CAS number UN number

60 29 7 1155

Hazchem code EPA code

3YE Ul17

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

74 C4HlOOl 34.5 -116 0.715

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Ab~olute viscosity (@25°C cP) Refractive index (25°C)

1.6 17 0.24 1.352

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-45 160 3E-16

Lower explosive limit (ppm) Upper explosive limit (ppm)

18500 360000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

19000 400 500 1

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

610000 2.57 462 60

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

6.9 1.3 +0.77 0.03 (5) 2.59

Vapour pressure equation constants (Log1o, mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water lOO)

7.4 1.3 4.3 11.7

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

6216 598 40 3.61 473 1735 3.39 3.02 103.5

6.98472 1090.64 231.20 7.00353 1088.4

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

1.0 28.0

Ethers

keotrope I(%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol iPropano1 n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

"C

N/W

Reference

58 33 None

8296 830 1

Yone Vone

8293 8304

2 62 Yone Yone Yone Vone

4029 6464 6351 8104

Solute

Reference

1.5

1x/3/1077

0.9 1.2

3 415 16 1x13/1077

4.8 3.8

2all70 2d375

Ethers

2.9 1.75 0.18 0.44

P157 V2l34 1 P678 P649

1.3

P1274

55.7 13.4

P1004 P657

1.61 1.22

30 41 Vone Vone Vone

1566 1474 1136 2987

0.6 0.4

Reference

+

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB

Partition coefficient

+ +

3 41492 3 41486

P655 PlOOl

~~~

~

Azeotrope

X% Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DIPE Dibutyl ether MTBE 1,4-Dioxane THF

"C

wlw

Reference

None

5346

-

-

None

8305

Esters Me acetate None Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate

Solute 9" 2.2 1.9

Reference

+

2.0

1X/3/1077

1.1

3 +415 13

5527

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

V21470

<0.01

P2744

-

-

0.08 0.03

24.3

34 99 None

1235 3136

None

8297

None

1.6 2.6

2778

2.5

375

28.6

3+4/495 3+4/502

3 +41499

34

P516 P860

P594

0.41 0.03

V21228 P1710

0.20

P1101

0.40

P261

<0.01 99

Reference

0.28

3 4117 7 1~/311077

-

-

Partition coefficient

P1617

la1257

Ethers

Diisopropyl ether Alternative names Isopropyl ether, DIPE Reference codes CAS number UN number

108203 1159

Hazchemcode EPAcode

3YE

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

102 C6Hl4Ol 68 -86 0.724

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.4 18 0.33 1.367

-28 430

Lower explosive limit (ppm) Upper explosive limit (ppm)

14000 79000

10000 250 310 0.1

Vapour concentration@ 21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

193000 3.58 123

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

1.2 0.62 2.9 +2.0 0.19 2.83

Vapour pressure equation constants (Log1a. mmHg) Antoine equation A B C Cox chart A B

6.84953 1139.34 231.742 7.09624 1256.2

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water lOO) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

6.9 1.2

(5)

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

1.6 8.1

6936 885 52 3.14 500 2631 4.74 4.09 142.3

Ethers

beotrm (%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2 4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI

"C

VW

Reference

67 53 qone

12128 12196

Jone

10863

76 33

57 64

2091a 4110

35

66

639 1

54 Jone Jone

71

1496 1163 3004

Solute

Reference

1.1 1.3

3+4/559 lx/3/1243

1.0 1.2 1.1 1.4

3+4/555 3+4/553 3 +4/558 3+4/563

3.3 5.0 3.5 4.5 3.0

2al261 2al459 2al586 2b1101 2b1202

0.5 1.1

3+4/537 3+4/529

Partition coefficient

Reference

0.5

V2/6 18

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1 1 1-TCA TCE Perk. MCB

rlone

233 1

..1

Ethers

~

.

keotrope (%

Solute Yetones ketone MEK MlBK Syclohexanone NMP ketophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

"C

Reference

VIW

39 keo

54

5386 3bl357

7548

Reference

2.8

3b1357

1.7

3b1506

-

Uone

Solute

2.2

-

Partition coefficient

Reference

-

-

4.5

V3l103

0.6

VU282

0.01

P1656

1x/3/1243

Esters Me acetate Et acetate i-Propyl acetate a-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Uone

35

62

3185

3.2

579

19.2

3+41544

11525

Ethers

Dibutyl ether Alternative names Butyl ether Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

142 96 1

Hazchem code EPA code

130 C8Hl8Ol 142 -95 0.769

Cubic expansion coeff (per °C x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.15 1.4 0.63 1.397

25 194

Lower explosive limit (ppm} Upper explosive limit (ppm}

15000 76000

7377 4.48 5.5

0.5

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21 °C mmHg POCP

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.03 0.20 4.59

2.95

Vapour pressure equation constants (LoglOt mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7.2 1.2

6.7963 1297.29 191.03 7.31357 1649.0 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

7.1 8944 1182 66.0 307 6.09 5.18 170.4

Ethers

Azeotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 112-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 112-EDC l,l, 1-TCA TCE Perk. MCB Ethers

X% w/w

"C Reference

None 78 142

Solute T

Reference

1.o

1.o 1.o 1.1

1x/3/1370 1x/3/1370 1x/3/1370 1x/3/1370

1.o 0.9 1.o

1x/3/1370 1x/3/1370 1x/3/1370

Partition coefficient

Reference

14102 14117

None

4170

3.5

2d391

0.98

VU389

17 118 None

8195 8379

0.7

2d/23 1

0.04

V3/122

50 135 35 130 None

9770 9883 11745

0.5 0.8 1.2 0.8

1x/3/1370 1x/3/1370 1x/3/1370 1x/3/13 70

140

4354

136

6668

63 138 32 122 50 127 None

10003 6615 8479 12247

90

None

None

1501a

10537

Leotrope (% Solute

"C

ulw

Reference

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane TH F Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane CS2 Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

qone

126

qone done

30 done 57

Reference

2.3

1x/3/1370

-

-

2.1

1x/3/1370

Partition coefficient

Reference

0.07

CEP

-

-

5.0

V3/104

1.o

V2/304

8305

-

5

Solute 4"

11333

3220 11198

138

93

8788 10960 735

4.2

3d139

Ethers

Methyl tert butyl ether Alternative names Tert butyl methyl ether, MTBE Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4) Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

1634044

Hazchem code EPA code

88 C5Hl2Ol 55 -109 0.741

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (20°C)

18.3 0.35 1.369

-34 460

Lower explosive limit (ppm) Upper explosive limit (ppm)

16000 84000

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

372000 3.06 206

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

4.3 1.4

2.75

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7.4 1.2 4.5 14.8

7.06046 1191.2 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

1.6 8.4

7030 740

4.07 3.63 119.0

Ethers

zeotrope % Solute

"C Reference

//W

Yydmcarbons +Pentane hexane ?-Heptane ?-Octane a-Nonane a-Decane 2 2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics TetraIin Alcohols Methanol Ethanol n-Propano1 i- Propano1 n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. l12-EDC 1 1 1-TCA TCE Perk. MCB Ethers

51

2058

Solute +f'

Reference

1.2 0.9

1x/3/1152 1x/3/1152

1.1

1x/3/1152

3.0 3.0 2.9 2.6

2d160

Partition coefficient

Reference

lzeotrope (%

Solute

"C

ulw

Reference

-

-

Solute f

Reference

Partition coefficient

Reference

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

97

52

466

Ethers

1,4-Dioxane Alternative names Glycol ethylene ether, p-dioxane, diethylene dioxide, diethylene oxide Reference codes CAS number UN number

123 91 1 1185

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

88 C4H802 101 + 12 1.034

Cubic expansion coeff (per °C x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

12 180 5E-15

Lower explosive limit (ppm) Upper explosive limit (ppm)

20000 222000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

200 25 100 170

Vapour concentration @21°C ppm Vapour density (relative to air} Vapour pressure @21°C mmHg POCP

41000 3.06 32

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

2SE

1.1 40 1.3 1.420

Total Total -0.42 0 1.82

Vapour pressure equation constants (LoglOr mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

10.0 0.4 2.21 16.4

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

8510 567 36 5.21 588 3080 3.19 2.64 85.1

7.43155 1554.679 240.337 7.19047 1426.5

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

7.3 2.2

Ethers

Azeotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i- Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG lI2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Ethers

X% w/w

"C

2 44

25 12

Reference

Solute

Reference

60 92 100

7547 7552 7554

3.3 4.0 7.4 4.7

3+4/472 lx/3/1052 1x/3/1052 3 +4/48 1

80 82 102

7540 7537 7550

2.6 1.1 1.2

3 +41468 3 -k 41465 1x/3/1052

None 9 78 45 95 None None 96 101 60 99

1998 4011 6447 6337 7519 7522 7520

1.6 2.5 1.7 1.2 1.5 1.4

2d148 1x/3/1052 2d53 1 2b/56 2b/147 2b/278

None

7543

None

4206

None

654 1

Vone \one Vone

1465 1124 2979

0.46 1.2 1.4

3+4/441 1x/3/1052 3 41447

Vone Vone

230 1 2181

80

+

Partition coefficient

Reference

zeotrope :%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane TH F

"C Solute

Reference

1.3 1.6

1x/3/1052 3b1523

-

-

-

7514 7527

1.1

3+41455

1.7

3 4- 41454

2.2

3i-41450

2.4 2.3

3i-41446 3i-41448

4.1

11382

JlW

Reference

lone

5333

Jone

7539

ione

7548

Esters Me acetate done Et acetate (one i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

!3

119

119

Jone

7524

Jone

2769a

32

88

349

Partition coefficient

Reference

Ethers

Tetrahydrofuran Alternative names THF, tetra methylene oxide, 1,4-epoxybutane, oxacyclopentane Reference codes CAS number UN number

109999 2056

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

72 C4H80l 66 -109 0.888

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-15 212 4.5 E-5

Lower explosive UoDer, explosive

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

100 200 30

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' yolume Van der Waals' surface area Molar volume

limit (ppm) limit (ppm)

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP Total Total

1.1 28 0.55 1.404

23000 118000

230000 2.5 133 70

Lower critical solution temperature 72°C

+0.46 2.59

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

2SE U213

9.1 1.75 7.6 21

6.99515 1202.29 226.254 7.09092 1246.2 Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

2.3 6.3

6664 601 36 5.2 541 2.94 2.72 81.08

Ethers

Azeotrope X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics TetraI in Alcohols Methanol Ethanol n-Propanol i- Propano1 n-Butanol i-Butanol s-Butanol n-Amyl ak. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI

"C

W h

Reference

Solute f

Reference

None 50 63

7407

2.0 1.9

1x/3/1046 1x/3/1046

1.7

1x/3/1047

1.7 0.84 0.85 0.90

1x/3/1046 1~!3/1046 1x/3/1046 1x/3/1047

0.9

1x/3/1047

2.4 1.9 1.4 1.4 1.2

2a/141 2C4328 2~4497 2W55 2b/146

6.6

2d/3

0.5 0.25 0.75 0.60

lx/l/lOO 1x/3/1046 3 4/429 1x/3/ 1046

97

60

69 61 90 66 None None None

1996 4009

None

4204a

34 72 None

1464

6335a

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,P-EDC 1,1,1-TCA TCE Perk. MCB Ethers

+

Partition coefficient

Reference

Azeotrope X%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane TH F

"C

wlw 8

Reference

Solute f

-

-

Partition coefficient

Reference

-

-

2.05

V21396

64

-

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

Reference

None

1.1

1x/3/1046

-

1.1

1x/311046

4.6

3+41433

cs2

Acetic acid AniIine Nitrobenzene Morpho1ine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

6273

None

96

64

345

10.4

11367

Ethers

Esters

Methyl acetate Alternative names Acetic acid I methyl ester Reference codes CAS number UN number

79 20 9 1231

Hazchem code EPA code

2SE

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

74 C3H602 57 -98 0.927

Cubic expansion coeff (per °C x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.4 24 0.37 1.360

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-10 500 3.4E-6

Lower explosive limit {ppm) Upper explosive limit {ppm)

31000 160000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

10000 200 250 200

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

290000 2.57 171 2.5

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

24.5 8.2 1.85 +0.18 1.51

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

9.6 1.7 6.7 29

7.06524 1157.63 219.726 7.25014 1254.0

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

2.1 9.5

7178 348 37 4.6 507 2.80 2.58 79.8

Esters

keotrope ~~~

:% Solute

"C

VIW

Reference

Solute

Reference

Partition coefficient

Reference

3.81

V2l4 16

~~~~~

Hydrocarbons n-Pentane n- Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i- Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI

!2 53 36

34 52 57

5536 5554 5558

5.5

1xJ31994

30

55 57

5541 5537

3.6 1.4

51393 51375

31 54 37 57 lone lone

1967 3969

2.7 1.9 2.8 2.2 2.3

2d92 2d335 2d530 2b150 2f1137

0.3

5516

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l, 1-TCA TCE Perk. MCB Esters

lone !3 65 lone

1557 1448 1110

0.6 0.6 1.7

51347 51341 51339

1.2

51374

~~

Azeotrope X%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF

"C

Partition coefficient

Reference

3+4/159 3+4/271

0.37

V21463

-

-

-

-

0.8

51357

1.2

51397

0.41

V41183

WIW

Reference

Solute

Reference

50 55 None

5310 5519

1.3 1.o

None

5527

5521a

Esters Me acetate Et acetate None i-Propyl acetate n-Butyl acetate None Cellosolve acetatc Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-N itropropane Acetonitrile Furfuraldehyde Phenol Water

30 40 None

1198 3101a

2.7 1.1

51349 5/82

lone

2763

1.4

51354

276

8.5

11264

37

56

Esters

Ethyl acetate Alternative names ETAC, acetic ester, EtOAc, ethyl ethanoate, acetic acid, ethyl ester Reference codes CAS number UN number

141 78 6 1173

Hazchem code EPA code

3YE Ul12

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

88 C4H802 77 -84 0.895

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.39 24 0.46 1.370

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-4 484 1.0E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

22000 115000

laaaa 400

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

50

Aqueous effluent Solubility in water (25°C %wlw) Solubility of water in (25°C %wlw) Log1Oactivated carbon partition Log1Opartition in octanollwater (wlw) Biological oxygen demand wlw (days) Theoretical oxygen demand wlw

7.7 3.3 2.31 +0.73 1.2 1.82

Vapour pressure equation constants (Log1o. mmHg) Antoine equation A B C Cox chart A B

7.10179 1244.95 217.881 7.30648 1358.7

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

9.1 1.7 6.02 23

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/moI/OC) Critical pressure (MN/m1 Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

7744 493 40 3.84 523 2494 3.48 3.12 98.5

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

114000 3.04 78 21.8

3.0 4.2

Esters

Azeotrope Solute

X% w/w

I

"C Reference

Solute rP

Reference

Partition coefficient

Reference

I Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB Esters

38

65

7588

3.1 2.4 2.9 3.1

1x/1/105 515 14 1W3I105 1 1x/3/105 1

I

I 54 72 None None

7583 7580 7591

None

7594

1.5 2.3 3.1 1.2 1.8 1.6

1V3I105 1 51506 51502 515 16 51540 5/54 1

1

I

I

56 62 69 72 None 75 76 None None None

1999 4012 6448 6338 7567 7570 7568

2.7 2.2 1.9 1.6 2.3

3.5

None

1x111103 2a/351 2a/536 2bl59 2bl148

2dl5 11

1.08 0.41 0.19 0.17 0.03 0.04 0.07

V2193 CEH V21549 CEH V3150 v3/54 V3/52

I

I

I

I

I

None None

757 1 7590

2.0 2.2

2b1126 2f/33 5

1x/1/103 l-x/11103 1x/1/103 1x/1/103

72 78 43 75 None

1466 1125 2980

0.5 0.5 1.3 0.8

None

2302

0.9

51454

None

7578

1.4

51492

I

I

I

I

I

keotrope :%

Solute

"C

Reference

VIW

Solute 1p

Reference

1.2 2.0 0.6

3 41176 3+41278 3bl527

1.o

3 +4/513

1.1 1.1

3 41455 1xJ11104

Partition coefficient

Reference

~

Ketones ketone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF

lone 32 77

5334 7345

7514

Uone

Esters Uone Me acetate Et acetate Vone i-Propyl acetate \one n-Butyl acetate Cellosolve acetatt

5521a

-

Acetic acid Ani Iine Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

0.14

CEH

+

51357

-

-

1.o

51487

3.9

5/46 1

-

-

7585

Miscellaneous DMF DMAc DMSO Sulfolane

cs2

1.1

+

1.85

V3148

3 46 None

1220 3120

2.7 7.0

1xJ11103 51104

0.29

V41184

None 77 75 None

6274 2770 7574

1.6 1.7

1xJ11103 3al123

0.17 0.03 eo.01

v21175 vu57 v4124 1

352

9.7

11393

91.5

70

Esters

Isopropyl acetate Alternative names Sec propyl acetate, 2-propyl acetate, acetic acid, isopropyl ester Reference codes CAS number UN number

108 21 4 1220

Hazchem code EPA code

3YE

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

102 C5HIO02 89 -69 0.874

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.31 22.1 0.46 1.375

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

3 460 5.7E-7

Lower explosive limit (ppm) Upper explosive limit (ppm)

18000 80000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

16000 250 200 30

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

66000 3.5 47 21.5

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

2.9 3.2 2.63

2.04

Vapour pressure equation constants (Logl(), mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/moI/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

8.5 2.7

7.3340 1436.53 233.7 7.34068 1422.7

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

8262 534 50 3.65 538 4.15 3.65 117.8

Esters

Azeotrope

K% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 112-Propanediol

wlw

9 67

I

"C Reference

69 88

Esters

Reference

9297 9302

Reference

I

I 25 79 None None

9296 9294 9300

I I (

65 77

2046 4054

48 80 None

6363 8121

20 48

1.9

2d391

1.7

2fI59

(

I

I

I

I

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 112-EDC 1 1 1-TCA TCE Perk. MCB

Solute

Partition coefficient

I

(

None None

1145 2992

None

2317

I

I

keotrope (%

Solute Yetones ketone MEK MIBK Syclohexanone NMP ketophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

"C

MIW

Reference

lone \(one

5365 7366

Vone

7527

Esters Me acetate Vone Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatt

Solute .P

1.o

Reference

51487

-

-

-

1251 3147

1.4

51123

Partition coefficient

Reference

-

-

Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

None None

20 90

80

2788

77

439

0.36

V2/236

<0.01

V41264

Est e n

n-Butyl acetate Alternative names BuAc, n-butyl ethanoate, BuOAc, acetic acid, butyl ester Reference codes CAS number UN number

123 86 4 1123

Hazchem code EPA code

3YE

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

116 C6Hl2O2 126 -73 0.876

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.16 25.1 0.73 1.392

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

22 407 1.6E-8

Lower explosive limit (ppm) Upper explosive limit (ppm)

17000 150000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

laaaa 150 200 15

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

14200 4.03 10.6 32.3

Aqueous effluent Solubility in water (25°C %wlw) Solubility of water in (25°C %wlw) LoglO activated carbon partition LoglO partition in octanollwater (wlw) Biological oxygen demand wlw (days) Theoretical oxygen demand wlw

).7 1.3 3.04 +1.7 1.15 2.21

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

8.6 1.8

7.02845 1368.50 204.00 7.44951 1626.5 Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

11.8 1.0

24.1 8584 784 58 3.05 579 4.83 4.20 132.5

Esters

Azeotrope ~~

X% Solute

"C Reference

Solute f

Reference

None 52 119

11826a 11832

1.8

5/59 1

None None

11687 10859

1.5 0.9 1.o

51585 51583 51586

None None

11828 11830

5.8 2.1 1.2 1.8 1.4

2c/213 2c/426 2d484 2dD5 2 bll97

1.5

2fl4 17

6.9

2dll5

9968 6576 8434 11823

2.3 1.8

2d1122 2b1294

1493 1161

0.7 1.2

51574 51573

0.7

51575

WIW

Partition coefficient

Reference

1.12 0.61 0.11

V21131 VU363 V21574

0.03

V4l253

~~~

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2 2 4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C, Aromatics Tetra I in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

None

4258

None

6655a

Glycol ethers PGME EGME EEE EGBE

None 52 119 87 126 None

Chlorinated MDC Chloroform Carbon tet. 112-EDC 1 1 1-TCA TCE Perk. MCB Esters

None None 60 94 None 37 116 None None None 82 126 None

None None

21 120 None

8153 8345 8237 9754 9837

2210 10516

Azeotrope X%

Solute Ketones Acetone MEK MIBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DIPE Dibutyl ether MTBE 1,CDioxane THF

"C

Reference

WIW

5383

None

95

126

Esters None Me acetate None Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatt None

Solute f

Reference

1.4

3b1197

1.2

51397

-

-

2.1

51147

2.3 1.8 0.5 6.7

51577 3 +4146 2b/373 11516

Part coefficient

0.14

Reference CEH

11833

7585

-

-

-

11821

Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile FurfuraIdehyde Phenol Water

None

3177

None

8850

Azeo 71

90

10896 542

0.23

V41185

0.07 0.02 <0.01

V2/184 V3/194 V3/297

Esters

Cellosolve acetate Alternative names Ethylene glycol monoethyl acetate, 2-ethoxy ethyl acetate Reference codes CAS number UN number

111 15 9 1172

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

132 C6Hl2O3 156 -62 0.973

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (20°C)

52 345

Lower explosive limit (ppm) Upper explosive limit (ppm)

17000 82000

2500 5

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

2108 4.6 1.5 60

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

0.1

1.12 28.2

Aqueous effluent Solubility in water (25°C %w/w) 22.9 Solubility of water in (25°C %w/w) 6.5 LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w 1.82 Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D)constant (20°C) . Dielectric

8.6 1.8

6.8246 1291.3 170.97 7.542 1799.3 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

57 0.2

Polarity (water 100) Thermal information Latent heat (car/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

9768 754 63.9 3.0 607

135.7

Esters

~~

Azeotrope X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C, Aromatics Tetra Iin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-0ctanol Ethanediol DEG 112-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. l12-EDC 1I 1 1-TCA TCE Perk. MCB Esters

"C

wlw

Reference

None None None

11913 12007 12009

None None

8160 8352

None

9842

None

4261

None

6665

13 151 None None None

9969 6583 8440 11989

Solute f

Reference

Partition coefficient

Reference

heotrope (%

Solute

"C Reference

YIW

Solute

Reference

Partition coefficient

Reference

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DIPE Dibutyl ether MTBE 1,CDioxane THF

38

142

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate lone Cellosolve acetatf

12021

11821

-

-

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Vone 28

50

185 97

8766 10898 559

Esters

Miscellaneous solvents

Dimethylformamide Alternative DMF

names

Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4) Fire hazards Flash point (closed

cup °C)

Autoignition temperature Electrical conductivity Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold

(OC)

(ppm)

68 12 2 2265

Hazchem code EPA code

2P

73 C3H7N1O1 153 -61 0.945

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.03 35 0.82 1.427

62 445 6.0E-8

Lower explosive limit {ppm) Upper explosive limit {ppm)

22000 160000

3500 10 20 100

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

3700 2.53 3.8

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Total Total

-0.74 0.9 1.86

Vapourpressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D} Dielectric constant (20°C} Polarity (water 100} Thermal information Latent heat (cal/mol} Nett heat of combustion (kcal/gmol} Specific heat (cal/mol/OC} Critical pressure (MN/m2} Critical temperature (K} Latent heat of fusion (cal/mol} Van der Waals' volume Van der Waals' surface area Molar volume

12.1 3.8 36.7 40.4

7.10850 1537.78 210.390

Kauri butanol value Evaporationtime (ether = I ) Evaporationtime (BuAc = I)

120 0.17

10074 423 36 4.48 647 3.09 2.74 77.43 Miscellaneous solvents

Leotrope (%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra Iin Alcohols Methanol Ethanol n-Propanol iPropanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

"C Reference

M/W

5

Jone Jone 15

!O

Jone Jone

97

5893 5893a 134 136

5894

Solute f

Reference

12.8 17.2 8.3 18.6 22.0 25.3 30.1 5.4 1.2 2.0 2.2 2.7

lx/1/58 6c/332 6V98 1x/1/61 1~l311005 1x/3/1005 1x/1/61 1x/1/59 1x/1/59 1x/1/60 1x/3/1003 7/48 1

0.6 0.6

2a/115 2c/371

1.2 1.0

2f1527 2b/8

0.9

81265 0.29 8/117

Partition coefficient

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,1-TCA TCE Perk. MCB Miscellaneous solvents

1.8

0.4

0.04 0.02

Reference

rzeotrope :%

Solute

VIW

"C

Reference

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane TH F Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

-

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Solute f

Reference

0.9 1.3

3+41164 3bl289

1.2

3bl500

1.3

3+41454

1.6

1x/3/999

-

-

1.2

81407

4.4

1x/1/57

0.3

81428

1.08

11276

Partition coefficient

Reference

kzeo

Jone Jone

2765

Miscellaneous solvents

Dimethylacetamide Alternative names DMAc Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4) Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

127 195

Hazchem code EPA code

87 C4HgNlOl 166 -20 0.945

Cubic expansion coeff (per oC x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.95 34 0.92 1.436

70 491

Lower explosive limit (ppm) Upper explosive limit (ppm)

15000 115000

400 10 20 50

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

1.0

Total Total

-0.77

Vapour pressure equation constants (LoglOt mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water lOO)

1316 3.02

11.0 3.8 37.8 40.1

7.76228 1889.1 221.00

Kauri butanol value Evaporationtime (ether = I) Evaporationtime (BuAc = I)

172 0.14

10360 569 42 4.08 658 3.53 2.97 92.1

Miscellaneous solvents

zeotrope % Solute

I/W

"C Reference

Solute f

Reference

8.3 17.0 20.0 13.0

lx/1/118 lx/l/118 1x.W 18 lx/3/1168

2.3 3.0 1.6 1.6

l~W118 W1/118 1x/3/1168 1x/3/1168

0.5 0.5 0.3

lV3/1065 1x/3/1068 2d454

~~

Yydrocarbons ?-Pentane ?-Hexane heptane v0ctane 7-Nonane ?-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,l ,l-TCA TCE Perk. MCB discellaneous solvents

Partition coefficient

Reference

rzeotrope ~~

:%

jolute

"C Solute

Reference

1.1 1.1

1x/3/1168 1x/3/1168

1.2

1x/3/1168

1.3 1.3

1x/3/1168 1x/3/1168

-

-

-

3133

0.2

5/115

1.o

1d 4 0 2

Reference

vlw

Vetones ketone MEK MlBK Qclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatc Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

79

None

171

Partition coefficient

Miscelr

Reference

eous solvents

Dimethylsulphoxide Alternative names DMSO, sulfinyl-bis-methane,

DIMSO

Reference codes CAS number UN number

67 68 5

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

78 C2H6OlSl 189 + 18.5 1.101

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.0 43.7 2.0 1.476

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

95 255 2E-9

Lower explosive Upper explosive

30000 420000

1000

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

(ppm) (ppm)

650 2.7 0.7

Total Total

Vapour pressure equation constants (LoglQ, mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

limit limit

13.0 3.96 46.6 44.4

6.88076 1541.52 191.797

Kauri butanol value Evaporationtime {ether = 1) Evaporationtime {BuAc = 1)

1500

12636 441 36

3221 2.83 2.47 71.3

Miscellaneous solvents

Leotrope ~~

(%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra Iin Alcohols Methanol Ethanol n-Propanol i- Propanol n-Butanol i-Butanol +Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI

vlw

"C

Referenc

Solute f

Reference

25.9 38.6 33.4 43.5 55.9 70.7 61.2 15.5 2.7 4.1 4.6 7.5

1x/1/29 1x/1/30 1x/1/31 1x/1/3 1 1x/1/3 1 1x/1/32 1x/1/31 1x/1/30 71169 71386 1x/1/31 1x/3/969

0.4 0.8

2d62 1x/3/96 7

1.5 0.7 0.9

2fl39 2fl131 2bl275

ione

0.2

2 b17

lone lone lone

0.6 0.7 4.0

81264 8122 9 81107

lone

done ione

4184

4183a

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Ehloroform Earbon tet. 1,2-EDC lI1,1-TCA TCE Perk. MCB

Miscellaneous solvents

Partition coefficient

Reference

I rzeotrope :%

Solute

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1.CDioxane

I

"C

Solute f

Reference

ione

1.8 2.5

3bl80 1x/3/967

lone lone

1.5 2.5

3+4/450 3 41433

3.2 3.3

1x/3/967 5146 1

1.1

81407

-

-

-

243

0.5

11119

f1W

Reference

THF Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

rlone

Partition coefficient

Reference

+

-

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

\one

L

Miscellaneous solvents

Sulfolane Alternative names (Cyclo)tetramethylene sulphone, thiolane-1 , 1-dioxide Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4) Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

126 33 0

Hazchem code EPA code

120 C4H8O2S 285 +27.4 1.26

Cubic expansion coeff (per oC x !03) Surface tension (@30°C dyn/cm) Absolute viscosity (@30°C cP) Refractive index (30°C)

0.7 35.5 10.3 1.471

177

Lower explosive limit (ppm) Upper explosive limit (ppm)

54000

Vapour concentration @21°C ppm Vapour density {relative to air) Vapour pressure @21°C mmHg POCP

65.8 4.17 0.05

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm) Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C o;oW/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w Vapour pressure equation constants (Log1()1mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

4.69 44 41

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

14720 595 55 5.32 801 1063 4.04 3.20 95.3

Total Total

7.40800 2255.469 211.393

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

Miscellaneous

solvents

keotrope

(96 Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra1in

N/W

keo

4zeo

Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB

None

Miscellaneous solvents

"C Reference

Solute

Reference

33.2 48.2 51.4 66.0 87.3 115.0 53.2 19.3 2.7 1.5 4.9 5.1 6.7

1x/1/109 lx/l/lll lx/l/112 lx/1/113 lx/1/114 ldl/114 lx/llll3 lx/l/llO 7/191 71399 ldllll2 l x / l / l 12 1x/3/1063

0.8 3.3 3.5 4.9 4.6 4.3

2d125 2~4344 1x/3/1054 2d/53 1x/3/1055 1x/3/1055

1.7

2f/l03

0.9 1.1 5.0 1.3

8/266 1x/3/1053 1x/3/1053 1x/3/10 53

Partition coefficient

Reference

~

Azeotrope

Y% Solute

N/W

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF Esters Me acetate Et acetate :-Propyl acetate ?-Butyl acetate :el losolve acetatt Uiscellaneous IMF IMAc IMSO julfolane >Sp \cetic acid Wine litrobenzene Aorpholine 'yridine !-Nitropropane ketonitrile :urfuraIdehyde 'henol Vater

lone

"C Reference

Solute

Reference

1.5 2.1 3.7

1x/3/1054 1x/3/1055 1x/3/1058

3.3

lx/3/1055

1.7 2.8

1x/3/1054 1x/3/1055

-

-

2.1

1x/3/1065

Partition coefficient

Reference

Miscellaneous solvents

Carbon disulphide Alternative names Carbon bisulphide Reference codes CAS number UN number

75 150 1131

Hazchem code EPA code

PO22

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

76 C1S2 46 -111 1.26

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.4 32 0.36 1.628

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

-30 102 1.0E-16

Lower explosive limit (ppm) Upper explosive limit (ppm)

13000 500000

500 10

vapour concentration @21°c ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

685000 2.7 309

Health hazards Idlh (ppm) OES-TWA OES-STEL Odour threshold (ppm)

0.2

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

0.21 0.014

2.0

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole {D) Dielectric constant {20°C) Polarity {water 100)

10.0 0 2.64 6.5

Thermal information Latent heat {cal/mol) Nett heat of combustion {kcal/gmol) Specific heat {cal/mol/OC) Critical pressure {MN/m2) Critical temperature {K) Latent heat of fusion {cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

6460 246 18 7.62 546 1050 2.06 1.65 60.65

6.94279 1169.11 241.59

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

1.8 10.9

Miscellaneous solvents

Azeotrope X% Solute Hydrocarbons, n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n- Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI

"C

Reference

WIW

11

36

None None

None None None

71 91 95 92 None None None None

40 43 46 44

Solute f'

Reference

35 36 None None

Miscellaneous solvents

Reference

16.4

P385

1256 1274 1278 2.0

1V31938

1.5

6d57 1

1269 1265 1276

0.4 1.4 1.1

6all54 71100 71361

1175 1189 1209 1208 1233 1236 1260 1257

6.3 84.4 13.7

2a135 2a/281 2d417

11.3

2f1120

24.8 8.7

2d1239 2fl37 1

1170 1169 1085

1.4 1.4

812 14 8176

1.7

813 18

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,l ,l-TCA TCE Perk. MCB

Partition coefficient

keotrope :%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane TH F

"C

39 j7 46 34 lone

1194 1216 1272

7.0 4.4

3 +41132 1xl31938

34

1235

2.0

3+41495

3.3

3+41446

6.6

51349

13

Miscellaneous DMF DMAc DMSO Sulfolane Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Reference

vlw

Esters 40 70 Me acetate 46 33 Et acetate Uone i-Propyl acetate n-Butyl acetate Cellosolve acetatf

cs2

Solute f

Reference

1198 1220 1251

-

-

1180

Uone

26.6

38

Partition coefficient 0.78

P506

0.15

P520

-

-

127.2

P333

81320 0.43

37

43

Reference

P1663

207

Miscellaneous solvents

Acetic Acid Alternative names Ethanoic acid, glacial acetic acid Reference codes CAS number UN number

64 19 7 1842

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

60 C2H4O2 118 + 17 1.051

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

40 427 6E-9

Lower explosive limit (ppm) Upper explosive limit (ppm)

54000 160000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

1000 10 15 2

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

17400 2.08 13

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C o;oW/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

1.370

Total 1.80 -0.24

1.07

10.1 1.7 .6.2

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

1.13

Total

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

1.14 27.4

7.5596 1644.05 233.5 7.4565 1592.4 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

64.8 5800 188 29.4 5.8 595 2800 2.20 2.07 57.5

Miscellaneous solvents

keotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2 2 4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol

(96 ulw

"C

Reference

Solute ?

Reference

9.0 20 16

51152 51175 51189

31

51191

Vone 6 25 53 59 79

68 93 105 113 117

3156 3184 3204 3219 3230 3237

10 2 34 56 73

79 80 105 115 116

3173 3163 3194 3206 3208

4.9 3.3 7.6 7.9 5.6

51146 51127 51159 51178 51181

1933 3090 3109

0.9 0.7 0.9 0.8 1.o 1.1 1.2

221148 2c/293 2211525 2d184 2d1158 2fl302 2f122 1

1.9 2.6 5.4 2.6

5164 5/62 5/59 5174

3.3

5/72

Vone Yone Yone 43

120

3135

16

133

3156a

76

1437 1099 2961

118 107 115

2282 2158 3160

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 112-EDC 1 1 1-TCA TCE Perk. MCB

None 2 \one

4 39 59

liscellaneous solvents

Partition coefficient

Reference

Azeotrope

X% Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,bDioxane THF

Reference

Solute r"

Reference

None None None

3101 3117 3175

1.o 1.1 1.5

3 +4/148 3+4/269 3+4/345

None None None

3136 3185 3220

1.9 2.4

3 41502 3 +4/544

3119

0.9

3 +41448

3101a 3120 3147 3177

1.1 1.2 1.6 1.8

5/82 51104 51123 51147

3133

0.1

5.115

-

-

0.04

511 ia

1.4

11102

78

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate

None None None None

Miscellaneous DMF DMAc DMSO Sulfolane

21

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

"C

WIW

119

171

None

Reference

+

1180

-

-

None None

3164 3162

51

Partition coefficient

138

3139

None None

2758a 3138

None

23 1

Miscellaneous solvents

Aniline Alternative names Aminobenzene, benzeneamine, phenylamine Reference codes CAS number UN number

62 53 3 1547

Hazchem code EPA code

UO12

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

93 C6H7Nl 184 -6 1.022

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.9 45.5 4.4 1.583

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

76 770 2.4E-8

Lower explosive limit (ppm) Upper explosive limit (ppm)

13000 110000

100 0.5

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

380

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

0.5

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

3.5 5.1 2.78 +0.94 1.50 (5) 2.67

Vapour pressure equation constants (Log1~ mmHg) Antoine equation A B C Cox chart A B

7.46441 1840.79 216.92 7.55756 1936.2

Solvent properties Solubility parameter Dipole (D} Dielectric constant (30°C} Polarity (water 100}

10.3 1.56 6.7 42.0

Thermal information Latent heat (cal/mol} Nett heat of combustion (kcal/gmol} Specific heat (cal/mol/OC} Critical pressure (MN/m2} Critical temperature (K} Latent heat of fusion (cal/mol} Van der Waals' volume Van der Waals' surface area Molar volume

10602 773 48 5.30 699 2519 3.72 2.82 91.53

3.23 0.26

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

Miscellaneous solvents

Azeotrope

X%

"C

Solute

WlW

Reference

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra1in

None None None 13 149 36 167 None None None None None None

11151 11179 11197 11210 11230 11196 11148 10850 11167 11183 11185

A Icohols Methanol Ethanol n-Propanol iPropan01 n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l,l-TCA TCE Perk. MCB

Solute f

Reference

17.4 6.8 11.0 38 26

1x/1/240 6a1580 6b1161 lx/3/1194 1x/1/242

6.0 4.1 1.4 1.6 2.3 3.1

6b1318 6al255 71263 71426 71474 1x/3/1194

None

4075

2.2 3.3

1x/3/1192 2a1427

None

8138

2.3

1x/3/1193

2.9

2b1265

1.6

2bl395

3.6

2b116

1.4 1.5 3.8

1x/1/239 1x/1/239 81174

1.8

81527

None None 83 76

184 181

9824 11149 11200 4242

57

186

6655

None

9963

None

11153

None

None

Miscellaneous solvents

10511

Partition coefficient

Reference

4zeotrope (%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane TH F

"C Reference

Solute

Reference

1.3 0.6

3b1183 1x/3/1192

0.4

1x/3/1192

1.4

1x/1/239

0.3

81428

3.5

1x/1/239

-

-

-

10704

6.4

81540

\zeo?

?

81500

Jone

0.9

81385

4.5

11499

MIW

Jone Jone

11144

Jone

11182

Jone

11198

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Leo?

qone 3

!5

3164

180

81

488

Partition coefficient

Reference

-

-

0.05

V31233

0.01

V3l290

Miscellaneous solvents

Nitrobenzene Alternative names Oil of mirbane, nitrobenzol Reference codes CAS number UN number

98 95 3 1662

Hazchem code EPA code

2Y U169

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

123 C6H6N1O2 211 +6 1.204

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.96 43.9 1.80 1.550

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

88 496 2E-10

Lower explosive limit (ppm) Upper explosive limit (ppm)

18000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

200 1 2 6

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

272 4.27 0.21

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C)' Polarity (water 100)

10.0 4.0 34.8 32.4

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

10455 706 44 4.82 720 2768 4.08 3.10 102.7

0.19 +1.86 1.82 7.13043 1751.36 201.34

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

Miscellaneous solvents

4zeotroDe I(%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetra1in Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB

"C

N/W

Reference

None None

9740 10708

Solute Ip"

Reference

7.0 8.7 6.7 3.9 8.0

1x/1/222 6a1532 1x/1/223 6b1241 1x/1/223 1x/1/223 6a1203 712 53 71422 71470 1x/1/223

None None

10703 10718

11.8 9.6 1.1 1.5 1.6 1.8

None None

2065 4072

10.4 10.7

1x/1/220 1x/11220

None

8135

None

823 1

16.0

2f1226

None 41 186 90 210

10754 4238 8518

None

10710

None None

1485 1153

1.0 1.0 1.8 1.1

1x/11220 1111220 81168 1x/11220

None

10508

1.1

lx/3/1180

Miscellaneous solvents

Partition coefficient

Reference

5.9 3.5

P165 V2l349

0.02

V31257

~

botrope (%

Solute

"C Reference

ulw

Solute g

Reference

Partition coefficient

Reference

~

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

rlone

10733

lone

8297

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatt Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-N itropropane Acetonitrile Furfuraldehyde Phenol Water

None 97 180

-

12

99

3162 10704

-

1.2 1.1

lxJ11221 3bl316

0.8

1x/3/1180

1.4

1x/11221

2.6

1x/1/220

1.o

81540

-

-

1.7

1x/11220

3.9 0.01

P311 V31260

-

-

0.02

V3/259

485

Miscellaneous solvents

Morpholine Alternative names Tetrahydro. p. oxazine, diethyeneimide oxide, tetrahydro-1,4-isoxazine Reference codes CAS number UN number

110 91 8 2054

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

87 C4HgN1Ol 129 -5 1.00

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

38 310 6E-10

Lower explosive limit (ppm) Upper explosive limit (ppm)

18000 108000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

20 30 1

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

10500 3.0 7.9

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C o;oW/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol} Nett heat of combustion (kcal/gmol} Specific heat (cal/mol/OC} Critical pressure (MN/m2} Critical temperature (K} Latent heat of fusiQn (cal/mol} Van der Waals' volume Van der Waals' surface area Molar volume

1.1 37.5 2.2 1.455

Total Total -1.08 2.11

Vapour pressure equation constants (Log1o. mmHg) Antoineequation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D} Dielectric constant (20°C} Polarity (water 100}

2P

1.56 7.4 31.8

7.1603 1447.7 210.0

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

9510 42 5.5 618

3.47 2.80 87.5

Miscellaneous solvents

hotrope (%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin

VIW

lone

Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. l12-EDC 1 1,l-TCA TCE Perk. MCB Miscellaneous solvents

"C Reference

Solute f'

Reference

27.0

1x111123

3.3

1x111123

1.9

3 41482

0.9

2d345

+

8057

Partition coefficient

Reference

beotrope ~

[Yo

Solute

~~

"C Reference

vlw

Solute f

Reference

Partition coefficient

Reference

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane TH F

73

127

8058

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatc Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid AniIine Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Fudura Idehyde Phenol Water

-

-

-

-

None

367

2.0

la1327

-

Miscellaneous solvents

Pyridine Alternative names Reference codes CAS number UN number

11086 1252

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

1

Hazchem code EPA code

2WE U196

79 C5H6Nl 115 -42 0.983

Cubic expansion coeff (per °C x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.0 36.6 0.88 1.507

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

20 522 4E-8

Lower explosive limit (ppm) Upper explosive limit (ppm)

18000 124000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

3600 5 10 0.03

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

22000

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/moI/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

10.7 2.3 12.9 30.2

2.74 16.6

Total Total 2.26 +0.64 1.47 (5) 3.03

7.01328 1356.93 212.655

Kauri butanol value Evaporation time (ether = 1) Evaporation time (BuAc = 1)

12.7

8374 617 34 5.64 620 3.00 2.11 80.86

Miscellaneous solvents

Azeotrope X%

"C

Solute

wlw

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetra1in

None 25 96 56 110 90 115 None 23 96 None None 21 110 None None

8860 8867 8870 8872 8868 8846 884 1 8858 886 1 8863

None 44 None

73

2024 2760 6469

119

8109

Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol iButa no1 s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,l ,l-TCA TCE Perk. MCB

30

Reference

None None None

8217 8836 8838

None

4215

None None

6550 8407

None None None

1480a

48

Miscellaneous solvents

113

2192

Solute

Reference

7.2 4.8 4.6 3.9 4.2 3.8 10.3 2.5 1.3 1.5

1YJ3l1092 lYJ3l1092 6b1116 6b1239 6b1354 6b1386 6b1297 6a1177 71220 71406

1.3

71482

1.1 1.1 0.9 1.1 1.o 0.4 0.9

2a/183 2d355 2d512 2d157 2b1166 2fl307 2bl255

0.6 0.44 1.5

81267 W240 81140

1.9

81346

Partition coefficient

Reference

keotrope :%

Solute

"C Reference

V/W

Reference

Solute

Partition coefficient

Reference

~~

Ketones ketone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,CDioxane THF

j0

115

qone

Esters Me acetate Et acetate i-Propyl acetate lone n-Butyl acetate Cellosolve acetatt

+

8849

1.2 1.o 1.o

3 41181 1X/3/1092 3b/53 1

2769a

1.o

1X/3/ 1092

0.09 0.4

51118 81500

-

-

2.8

11469

5353

Jone

8850

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-N itropropane Acetonitrile Furfuraldehyde Phenol Water

69 Vone

138

-

-

2779b

None

13 57

3139

183 94

8842 395

Miscellaneous solvents

2-Nitropropane Alternative names 2NR sec nitropropane Reference codes CAS number UN number

79 46 9 2608

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

89 C3H7N1O2 120 -93 0.992

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

28 428 5E-7

Lower explosive limit (ppm) Upper explosive limit (ppm)

26000 110000

2300 5

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

22000 3.18 16

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

300

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

1.1 30 0.74 1.392

1.76 0.5

1.35

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100)

2Y U171

10.4 1.9 25.5 37.3

7.4211 1625.43 237.6

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

10 1.5

8811 441 42 618 3.36 2.94 90.1

Miscellaneous solvents

keotrope I(%

Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-Propanediol Glycol ethers PGME EGME EEE EGBE

Chlorinated MDC Chloroform Carbon tet. 1,2-EDC l,l,l-TCA TCE Perk. MCB

"C Reference

NIW

68 95 111 118

6284 6289 6291 6293

21 95 10 81 None 18 110 92 120

6292 6283 6281 6285 6290

None 6 78 25 96 4 82 52 112 33 105 18 99 85 120

1977 3978 627 1 6270 6275 6278 6276 6280

85

6279

3 21 47 75

None

Miscellaneous solvents

119

1114

Solute ?p"

Reference

6.5 6.6 4.0

1x/1/63 6a/510 6b/100

5.7 1.3

lxJ1163 71186

8.4 8.4

1x/1/63 1x/1/63

0.9 0.9 2.3

lx/1/63 1x/1/63 1x/1/63

Partition coefficient

Reference

1.10

V2186

~

ueotrope

:% Solute

"C Reference

VIW

Solute f

Reference

Partition coefficient

Reference

~

Ketones ketone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

(one

6272

Jone

6282

Uone

6273

Esters Me acetate \one Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetatt

6274

Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Ani Iine Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

-

-

71

89

4.0

1x/1/63

-

-

290

Miscellaneous solvents

Acetonitrile Alternative names Methyl cyanide, ACN, ethane nitrile, cyanomethane Reference codes CAS number UN number

75 05 8 1648

Hazchem code EPA code

2WE UOO3

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (20/4)

41 C2H3Nl 81.6 -44 0.782

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.4 29.1 0.38 1.342

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

6 524 6E-10

Lower explosive limit (ppm) Upper explosive limit (ppm)

44000 160000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

4000 40 60 40

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

96000 1.42 71

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C o;oW/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

-0.34 1.22 2.15

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox Chart A B

7.33986 1482.29 250.523 7.12578 1322.7

Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

Total Total

11.9 3.2 37.5 46

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

2.04

7134 289 22 4.83 548 1.87 1.72 52.86

Miscellaneous solvents

~

Azeotrope

X% Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics TetraIin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl ale. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

"C

Reference

Solute 4"

Reference

35 57 69 77 80 82 69 62 73 81

2792 2800 2803 2810 2812 2815 281 1 2797 2795 2801 2804 2805

21.3 27 32.8 57 86

lxB1953 lx/lll5 6bD9 lx/l/l6 1x/1/16

44 22.0 2.5 4.5 5.0 5.5 7.3

lx/l/l6 lx/1/14 71124 71373 71465 71499 W31955

64 73 81 75

1925 2760 2768 2767

3.0 3.7 6.5 2.4 4.8 3.3 2.7

2d43 2a/298 1x/3/95 1

2f140

9.2

2f11

1.7

2dl109

wlw 11 28 46 66 41 33 34 76 None None

81 44 72 52 None None

2779

Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,1,l-TCA TCE Perk. MCB

2dll56 2fl300 2dl24 1

\one lone 17 65 79 49

1546 1433 1095 2757

1.2 1.4 4.4 1.4

81258 812 17 8/86 8/364

29

2280

3.4

81349

2794a

2.8

a381

Vone

Miscellaneous solvents

75

Partition coefficient

Reference

keotrope :%

Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

"C

VIW

Reference

Solute r"

Reference

lone !7

2762

1.o 1.2

3 41143 3W268

Jone

2778

3.2

3+4/499

Jone

2769a

1.4

1x/3/95 1

2763 2770 2788

1.1 1.6

51354 51455

1.8

51577

17.9

81320

1.o

81385

Esters Vone Me acetate 75 23 Et acetate 80 i-Propyl acetate 50 n-Butyl acetate Cellosolve acetatf Miscellaneous DMF DMAc DMSO Sulfolane CS2 Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

Vone

2765

Vone

2758a

2779b

1.8

1x/1/14

-

-

-

-

6.1

1181

76

226

Reference

+

Vone

34

Partition coefficient

Miscellaneous solvents

Furfuraldehyde Alternative names Furfural, furfurol. 2-furaldehyde, fural Reference codes CAS number UN number

9801 1199

Physical properties Molecular weight Empirical formula Boiling point {OC) Freezing point {OC) Specific gravity {20/4) Fire hazards Flash point {closed cup °C) Autoignition temperature {OC) Electrical conductivity Health hazards IDLH {ppm) OES-TWA OES-STEL Odour threshold {ppm)

1

Hazchem code EPA code

U125

96 C5H402 162 -37 1.160

Cubic expansion coeff (per oC x !03) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

1.06 45 1.4 1.524

62 315

Lower explosive Upper explosive

21000 193000

250 2 10 0.2

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

Aqueous effluent Solubility in water {25°C %w/w) Solubility of water in {25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water {w/w) Biological oxygen demand w/w {days) Theoretical oxygen demand w/w Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole (D) Dielectric constant (20°C) Polarity (water 100) Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

11.2 3.6 41.9

limit (ppm) limit (ppm)

2400 3.33 1.81

8.4 5.0 +0.23 0.77 (5) 1.67

8.40200 2338.49 261.638

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

75

9216 539 36 5.03 660 3.17 2.48 83.23

Miscellaneous solvents

Azeotrope Solute Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-0ctanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. lI2-EDC 1,l,1-TCA TCE Perk. MCB

X% w/w

5 None

"C Reference

98

None None None None 10 139 60 155

878 1 8797

8763 8760 8776 8783 8785 8805

None None

Solute .9"

8764 8789 4214

14 151 None None 88 161

8753 6549 8406 8769

None None

1480 1140

3 4/50 3d137

11.7 8.9 8.0 1.6 1.7 2.5 2.8

3 4/59 3+4/55 3+4/45 3 +4/44 3d135 3+4/51 3 4/52

1.o 3.8

2c/140 2a1383

None None

Miscellaneous solvents

2191 8758

0.9 0.9 3.6 1.1 2.1 2.4

Partition coefficient

Reference

0.21 0.78 0.12 0.06

V2/558 V2/59 1 V3/115 V3/137

0.82

V2/42 1

+

7.1 6.0

2.4

5 156 None None

Reference

+

+

2f/l55

3d115 3+4/36 3+4/35

3d119 3+4/37

3d117

Azeotrope Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,bDioxane THF

X% wlw

"C Reference

None

20

Solute

Reference

2.8

3d121

1.6

3d126

8788

6.1

3aI139

7574

1.6

3d123

1.6

3 +4/46

Partition coefficient

Reference

0.25 0.11

v2/47 1 v3/2 1

1.13

v2/539

0.34

V2/230

0.08

V3/182

-

-

8762

138

Esters Me acetate Et acetate None i-Propyl acetate n-Butyl acetate Cellosolve acetate None

8766

Miscellaneous DMF DMAc DMSO Sulfolane cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane ketonitrile Furfuraldehyde Phenol Water

None

3138

-

-

-

-

None 35

8761 394

0.8

11455

98

Miscellaneous solvents

Phenol Alternative names Hydroxy benzene, carbolic acid Reference codes CAS number UN number

108 95 2 1671

Hazchem code EPA code

Physical properties Molecular weight Empirical formula Boiling point (OC) Freezing point (OC) Specific gravity (41/4)

94 C6H60l 182 +41 1.058

Cubic expansion coeff (per °C x !03) Surface tension (@55°C dyn/cm) Absolute viscosity (@43°C cP) Refractive index (4! °C)

0.9 36.5 4.3 1.542

Fire hazards Flash point (closed cup OC) Autoignition temperature (OC) Electrical conductivity

79 715 2.7E-8

Lower explosive limit {ppm) Upper explosive limit {ppm)

17000 86000

Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

100 5 10 20

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

815

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) LoglO activated carbon partition LoglO partition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w

3.26 0.62

8.4 28.7 4.0 +1.47

2.38

Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter Dipole {D) @40°C .2.2 Dielectric constant {60°C) .10.0 Polarity {water 100)

94.8

Thermal information Latent heat {cal/mol) Nett heat of combustion {kcal/gmol) Specific heat {cal/mol/OC) Critical pressure {MN/m2) Critical temperature {K) Latent heat of fusion {cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

6768 700 52 6.13 694 2750 3.55 2.68 83.14

11.3

6.9305 1382.65 159.5 7.84460 2045.1 Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

Miscellaneous solvents

seotrope .%

Solute Hydrocarbons n-Pentane n-Hexane +Heptane n-Octane n-Nonane n-Decane 2,2,4=TMP Cyclohexane Benzene Toluene Ethylbenzene Xylenes C9 Aromatics Tetralin Alcohols Methanol Ethanol n-Propanol i-Propanol +Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol l-Octanol Ethanediol DEG 1,2-PropanedioI Glycol ethers PGME EGME EEE EGBE Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1,l,1-TCA TCE Perk. MCB

"C Reference

I/W

1

125

10936 10959

15

168

11016

Sone

done done done

10920 10943 10944

Uone Uone 37 183 13 195 22 199

9749 9822 10895 10962 4240

36 183 Vone None 53 186

9962 6568 8426 10904

None

1155

None

10510

Miscellaneous solvents

Solute

Reference

10.9 13.6 12.8 19.8 26.8

1x/1/23 1 1x/1/233 1x/1/234 2x/382 1x/1/235

3.0 7.1 2.6 2.8

2b1383 1x/1/232 1x/1/231 1x/1/233

3.2 2.0

1x/1/234 2b/385

0.3

2b1370

2.6 0.8

2d/11

1.7 1.8 4.2 2.1

1x/1/230 1x/1/230 1x/1/230 1x/1/230

2fl339

Partition coefficient

Reference

0.37

VU125

0.13

V2/606

Azeotrope Solute Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

X% w/w

"C Reference

None None

Solute 4"

Reference

5375 7370

0.33

2b/358

72

185

10889

0.11

2bl368

8

202

10939

0.3

2 b/38 1

0.46

2b/373

3.2

1x/1/230

Partition coefficient

Reference

10960

None

Esters Me acetate Et acetate i-Propyl acetate None n-Butyl acetate 185 Cellosolve acetatt 72

10896 10898

Miscellaneous DMF DMAc DMSO Sulfolane

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Furfuraldehyde Phenol Water

42

185

10883

87

183

8842 8761

None

-

-

9

99

487

-

-

12.5

11496

Miscellaneous solvents

Water Alternative names Reference codes CAS number UN number Physical properties Molecular weight Empirical formula Boiling point (oC) Freezing point (oC) Specific gravity (20/4)

Hazchem code EPA code 18 H2O1 100 a 0.998

Cubic expansion coeff (per °C x 103) Surface tension (@20°C dyn/cm) Absolute viscosity (@25°C cP) Refractive index (25°C)

0.21 72.75 0.89 1.332

Fire hazards Flash point (closed cup °C) Lower explosive limit (ppm) Autoignition temperature (09 Upper explosive limit (ppm) Electrical conductivity (xl0siemen/cm) 5.0 (see Key to tables) Health hazards IDLH (ppm) OES-TWA OES-STEL Odour threshold (ppm)

Vapour concentration @21°C ppm Vapour density (relative to air) Vapour pressure @21°C mmHg POCP

25000 0.625 19

Aqueous effluent Solubility in water (25°C %w/w) Solubility of water in (25°C %w/w) Log1Oactivated carbon partition Log1Opartition in octanol/water (w/w) Biological oxygen demand w/w (days) Theoretical oxygen demand w/w Vapour pressure equation constants (Loglo. mmHg) Antoine equation A B C Cox chart A B Solvent properties Solubility parameter (call/2 cm312) Dipole (D) Dielectric constant (20°C) Polarity (water 100)

23.4 1.87 79.7 100

Thermal information Latent heat (cal/mol) Nett heat of combustion (kcal/gmol) Specific heat (cal/mol/OC) Critical pressure (MN/m2) Critical temperature (K) Latent heat of fusion (cal/mol) Van der Waals' volume Van der Waals' surface area Molar volume

9703 11.5 18 22.1 647 1432 0.92 1.40 18.02

8.07131 1730.63 233.426

Kauri butanol value Evaporationtime (ether = 1) Evaporationtime (BuAc = 1)

Miscellaneous solvents

4zeotrope I(%

Solute

"C

ulw

Hydrocarbons n-Pentane n-Hexane n-Heptane n-Octane n-Nonane n-Decane 2,2,4-TM P Cyclohexane Benzene Toluene Ethylbenzene Xylenes Cg Aromatics Tetralin

1.4 5.6 13 25 40 51 11 8.4 8.8 19 33 40 :.50 80

Alcohols Methanol Ethanol n-Propanol i-Propanol n-Butanol i-Butanol s-Butanol n-Amyl alc. i-Amyl alc. Cyclohexanol 1-Octanol Ethanediol DEG 1,2-PropanedioI

None 4.0 28 12.6 42 33 27 54 50 70 90 None None None

Glycol ethers PGME EGME EEE EGBE

35 78 87 79

Chlorinated MDC Chloroform Carbon tet. 1,2-EDC 1I 1,l-TCA TCE Perk. MCB

1.5 2.8 4 8.7 4 6.2 16.5 28

Miscellaneous solvents

35 62 79 90 95 97 79 69 69 85 92 95 96 99

78 88 80 93 90 87 96 95 98 99

97 100 98 99 38 56 66 72 65 73 88 90

blubility of solite in X (ppm) B25"C 38 9.5 3 0.6 0.2 0.02 2.2 55 1800 520 165 200

Total Total Total Total 73000 87000 198000 17000 43000 6000 Total Total Total Total Total Total Total* 13000 8200 770 8100 1300 1100 150 490

Solute f

Reference

870 4500 11000 96 100

1~l411656 1x1411658 1x1411659 1x1411659

2150 9700 24000 3630

1x/4/1657 1x/4/1658 1x1411659 1x14/1659

2.18 5.80 15.0 13.7 114.1 42.3 24.9 22.7 60.6 115.4

1140 11153 11286 11329 11407 11440 11420 1x/4/1656 1d382 11514

H atrn/mole fraction 70250 71730 150000 274000 330000 262000 186000 10700 309 3 53 447 313

0.39 0.45 0.51 0.62 0.44 0.35 0.60 0.68

Upper CST, "C

306

<-23 <-23 127 129 110 182 184.7

0.88 0.23 2.23 0.61

6.9 14.8

ld173 1a/353 la1337

<20 <20 <20

la1450 11526

<20 <20 128

336 665 6400 626 5500 5100

1x1411644 1x1411644 1x/4/1648 1x/4/1647 1x1411646

3000

1x1411657

111

138 225 1634 65 1666 648 1492 25.2

>220

Azeotrope

X% Solute

"C

WIW

hlubility of solite in X (ppm) 925°C

Solute +f

Reference

10.2 27.2 15.1 38.3 1.6 1277

11237 11363 1bl337 1/511 1d379 1/46

98.2 4.3

la1257 11525

8.2 24.3

11382 1xl411653

0.38 6.0

23.6 108 242 995

11264 1%I411653 1x/4/1656 11516

5.15

Ketones Acetone MEK MlBK Cyclohexanone NMP Acetophenone

11 24 55

73 88 96

None 82

98

Tota I !60000t 17000 23000 Tota I 5500

Ethers Diethyl ether DlPE Dibutyl ether MTBE 1,4-Dioxane THF

1.3 4.5 33 3 18 5.3

34 62 93 52 88 64

69000 12000 300 43000 Total Total$

Esters Me acetate Et acetate i-Propyl acetate n-Butyl acetate Cellosolve acetate

5 8.5 10 29 50

56 70 77 90 97

'45000 77000 29000 7000 '29000

Miscellaneous DMF DMAc DMSO Sulfolane

None None None None

cs2

Acetic acid Aniline Nitrobenzene Morpholine Pyridine 2-Nitropropane Acetonitrile Fudura ldehyde Phenol

None

2.8

Total Total Total TotaI

43

None

41 87 86 99 None 43 94 29 89 15.2 76 65 98 91 100

Total

35000 1900 Total Total 17600 Total 84000 84000

2.2 1.6 0.43 14.8 2100 3.6 22.6

11276 1d402 11199 ld316 3300 11102 11499

1.05 42.8

la1327 11469

32.5 50.6 44.0

1/81 11455 11496

H AtmIMole fraction

2.38 2.42 3.0 0.82

Upper CST, "C

<-11 139

220 48.3 96.3

202

C-1 5 138

108

<25 1XI411646 0.07 0.16 1.03

0.61 6720 1.12 2.35

1067 C-27 167

-0.9 122 66

Lower critical solution temperatures *Butyl cellosolve (DEGBE) 55°C tMethyl ethyl ketone (MEK) -6°C STetrahydrofuran (THF) 72°C Miscellaneous solvents

1. Perry's Chemical Engineers' Handbook.

5. Weast, R. C. (1975) CRC Handbook of

McGraw-Hill, New York. The most complete collection of information on industrial chemical properties and chemical engineering theory and practice. 2. Dechema Chemistry Data Series. Frankfurt. a. Volume I. Vapor-Liquid Equilibrium Data Collection. Nineteen parts by 1996. A very large collection of binary and ternary vapour-liquid data and activity coefficients for organic materials commonly used in industry. The majority of the VLE of binary mixtures are shown in graphic form. All solvents listed have their Antoine constants included and the values of their Van der Waals surface area and volume. b. Volume V. Liquid-Liquid Equilibrium Data Collection. Four parts by 1996. The liquid ternary mixtures are shown in graphic form which allow the possibility of extraction of a solute from one solvent to another to be estimated. c. Volume IX. Activity Coefficients at lnfinite Dilution. Four parts by 1996. A very large collection of activity coefficients of liquid solutes in commonly used solvents and stationary phases. In all the above 2 7 books the references cover the original research paper. Each book contains about 550 pages. 3. Riddick, J. A. and Burger, W. B. (1986) Organic Solvents, 4th edn. Volume 2 of Techniques of Chemistry Series. John Wiley, New York. A good source of physical data and laboratory purification methods for solvents. Hazards and stabilizershnhibitors for laboratory work are included. 4. Horsley, L. H. (1973) Azeotropic data 111. Advances in Chemistry Series No. 116. American Chemical Society, Washington DC. A most comprehensive collection of azeotropes with the original research papers for all azeotropes listed.

Chemistry and Physics (The Rubber Handbook). CRC Press, Boca Raton, FL. Although many later editions have been printed those numbered 55 and less contain information on solvent azeotropes which are not included in later editions. However, the later editions contain a large amount of useful information on solvents. Dreisbach, R. R. (1952) Pressure-VolumeTemperature Relationships of Organic Compounds, 3rd edn. Handbook Publishers. Contains Cox chart constants and tables of pressure-temperature data for individual compounds. Horvath, A. L. (1982) Halogenated Hydrocarbons Solubility and Miscibility with Water. Marcel Dekker, New York. A comprehensive coverage of water-chlorinated hydrocarbons and the mechanism of their miscibility. Flick, F. W. (1993) lndustrial Solvents Handbook, 4th edn. Noyes Data Corporation, Park Ridge, NJ. A collection of information of the physical properties of commercial solvents, but nothing on their fire and health hazards. De Renzo, D. J. (1986) Solvents Safety Handbook. Noyes Data Corporation, Park Ridge, NJ. For every commonly used solvent this book lists the essential physical properties, health data and transport safety information. Sax, N. I. (1984) Dangerous Properties of lndustrial Materials, 6th edn. Van Nostrand Reinhold, New York. The definitive book on the toxicity of solvents and other organic chemicals. Lide, D. R. (1995) Handbook of Organic Solvents. CRC Press, Boca Raton, FL. A compilation of many commonly used solvents with particular stress on analysis and thermodynamic properties.

6.

7.

8.

9.

10.

11.

12. Gallant, R. W. (1993)Physical Properties of Hydrocarbons. Gulf Publishing Co. Three volumes. All the properties of the simpler solvents and hydrocarbons up to Clo that are required for engineering design purposes plotted over normal working temperature ranges. 13. Solubility Data Series (1979 and continuing). Pergamon, Oxford. Over 30 volumes. Very detailed survey of the solubility of materials in water including paraffins, aromatic hydrocarbons, esters and alcohols and of the solubility of water in them. 14. Reichardt, C. (1988)Solvents and Solvent Effects in Organic Chemistry, 2nd edn. VCH Verlagsgeseilschaft, Weihheim. Useful for comparing the effects of various solvents and their method of action.

15. Reid, R. C., Prausssnitz, J. M. and Poling, B. E. (1987)Properties of Gases and Liquids, 4th edn. McGraw-Hill, New York. Very useful basis for methods of estimating properties that are not available from experiment. 16. Verschueren. Handbook of Environmental Data on Organic Chemicals. Van Nostrand Reinhold, New York. A comprehensive collection on the fate of materials in the environment. 17. Hansch, C. and Leo, A. (1979)Substituent Constants for Correlation Analysis in Chemistry and Biology. John Wiley, New York. Pomona College loglo P listings.