Handbook of Thermal Conductivity, Volume 3:: Organic Compounds C8 to C28 (Library of Physico-Chemical Property Data)

Handbook of Thermal Conductivity ,~~ Volume 3

Organic Compounds C8 ~0 C28

Handbook of Vapor Pressure Volume 1: C 1 to C 4 Compounds (Product #5189) Volume 2:C5 to C7 Compounds (Product #5190) Volume 3:C8 to C28 Compounds (Product #5191) Volume 4: Inorganic Compounds and Elements (Product #5394) Carl L. Yaws

Handbook of Viscosity Volume 1: C 1 to C 4 Compounds (Product #5362) Volume 2:C5 to C7 Compounds (Product #5364) Volume 3:C8 to C28 Compounds (Product #5368) Carl L. Yaws

Handbook of Thermal Conductivity Volume 1:C1 to C 4 Compounds (Product #5382) Volume 2:C5 to C7 Compounds (Product #5383) Volume 3:C8 to C28 Compounds (Product #5384) Carl L. Yaws

Each of the above series contains data for more than 1,000 organic compounds, including hydrocarbons, oxygenates, halogenates, nitrogenates, sulfur compounds, and silicon compounds. The data are presented in graphs for vapor pressure, viscosity, or thermal conductivity as a function of temperature and are arranged by carbon number and chemical formula to enable the engineer to quickly determine values at the desired temperatures.

Handbook of Transport Property Data (Product #5392) Carl L. Yaws

Comprehensive data on viscosity, thermal conductivity, and diffusion coefficients of gases and liquids are presented in convenient tabular format.

Physical Properties of Hydrocarbons Volume 1, Second Edition (Product #5067) Volume 2, Third Edition (Product #5175) Volume 3 (Product #5176) Volume 4 (Product #5272) R. W. Gallant and Carl L. Yaws

The four-volume series provides chemical, environmental, and safety engineers with quick and easy access to vital physical property data needed for production and process design calculations.

Thermodynamic and Physical Property Data (Product #5031) Carl L. Yaws

Property data for 700 major hydrocarbons and organic chemicals, including oxygen, nitrogen, fluorine, chlorine, bromine, iodine, and sulfur compounds, are provided.

LIBRARY OF PHYSICO-CHEMICAL PROPERTY DATA

Handbook of Thermal Conductivitv J

Volume 3

Organic Compounds c,to C 2 8 Carl L. Yaws

Gulf Publishing Company Houston, London, Paris, Zurich, Tokyo

Handbook of Thermal Conductivity, Volume 3 Copyright 9 1995 by Gulf Publishing Company, Houston, Texas. All fights reserved. Printed in the United States of America. This book, or parts thereof, may not be reproduced in any form without permission of the publisher. Gulf Publishing Company Book Division P.O. Box 2608 V1 Houston Texas 77252-2608 10

9

8 7

6

5 4

3 2

1

Printed on Acid-Free Paper (oo)

Library of Congress Cataloging-in-Publication Data Yaws, Carl L. Handbook of thermal conductivity / Carl L. Yaws. p. cm. m (Library of physico-chemical property data) Includes bibliographical references. Contents: v. 1. Organic compounds, C1 to C a - v. 2. Organic compounds, C5 to C 7 - v. 3. Organic compounds, C8 to C28. ISBN 0-88415-382-7 (v. 1). B ISBN 0-88415-383-5 (v. 2). ~ ISBN 0-88415-384-3 (v. 3) 1. HeatBConductionmHandbooks, manuals, etc. I. Title. II. Series. QD257.7.Y38 1995 95-5676 661.8adc20 CIP

iv

Li Bu

Graduate student, Chemical Engineering Department, Lamar University, Beaumont, Texas 77710, U.S.A.

Jack R. Hopper

Professor and Chair, Chemical Engineering Department, Lamar University, Beaumont, Texas 77710, U.S.A.

Xiaoyan Lin

Graduate student, Chemical Engineering Department, Lamar University, Beaumont, Texas 77710, U.S.A.

Sachin Nijhawan

Graduate student, Chemical Engineering Department, Lamar University, Beaumont, Texas 77710, U.S.A.

Carl L. Yaws

Professor, Chemical Engineering Department, Lamar University, Beaumont, Texas 77710, U.S.A.

Many colleagues and students have made contributions and helpful comments over the years. The author is grateful to each: Jack R. Hopper, Joe W. Miller, Jr., C.S. Fang, K.Y. Li, Keith C. Hansen, Daniel H. Chen, EY. Chiang, H.C. Yang, Xiang Pan, Xiaoyan Lin, Duane G. Piper, Jr., Li Bu, and Sachin Nijhawan. The author wishes to extend special appreciation to his wife (Annette) and family (Kent, Michele, Chelsea, and Brandon; Lindsay and Rebecca; and Matthew and Sarah). The author wishes to acknowledge that the Gulf Coast Hazardous Substance Research Center provided partial support to this work.

This handbook presents a variety of thermodynamic and physical property data. It is incumbent upon the user to exercise judgment in the use of the data. The author and publisher do not provide any guarantee, express or implied, with regard to the general or specific applicability of the data, the range of errors that may be associated with any of the data, or the appropriateness of using any of the data in any subsequent calculation, design, or decision process. The author and publisher accept no responsibility for damages, if any, suffered by any reader or user of this handbook as a result of decisions made or actions taken on information contained herein. vi

Thermal conductivity data are important in many engineering applications in the chemical processing and petroleum refining industries. The objective of this book is to provide the engineer with such data. The data are presented in graphs coveting a wide temperature range to enable the engineer to quickly determine values at the temperatures of interest. The contents of the book are arranged in the following order: graphs, references, and appendixes. The graphs for thermal conductivity as a function of temperature are arranged by carbon number and chemical formula to provide ease of use. Most of the graphs for the liquid cover a wide temperature range extending from melting point to boiling point to near the critical point. The graphs for gas cover a wide temperature range and are applicable at low pressure. Common units are used for thermal conductivity (W/m K). For those involved in English usage, each graph displays a conversion factor to provide the English units. The coverage encompasses a wide range of organic compounds including hydrocarbons such as alkanes, olefins, acetylenes, and cycloalkanes; oxygenates such as alcohols, aldehydes, ketones, acids, ethers, glycols, and anhydrides; halogenates such as chlorinated, brominated, fluorinated, and iodinated compounds; nitrogenates such as nitriles, amines, cyanates, and amides; sulfur compounds such as mercaptans, sulfides, and sulfates; silicon compounds such as silanes and chlorosilanes; and many other chemical types. The graphs for liquids are based on both experimental data and estimates. Estimates for liquid thermal conductivity were primarily based on modified Missenard and Pachaiyappan methods. Both experimental data and estimates were then regressed to provide the same equation with wide and extended temperature coverage for all compounds. Very limited experimental data for liquid thermal conductivities are available at temperatures in the region of the melting point. Also, there are very few reliable data at temperatures above a reduced temperature of Tf = 0.65. Thus, the values in the regions of melting point and reduced temperatures above 0.65 should be considered rough approximations. The values in the intermediate region (above melting point and below reduced temperature of 0.65) are more accurate. The graphs for gases are also based on both experimental data and estimates. In the absence of experimental data, estimates were primarily based on correlations of Roy and Thodos; Misic and Thodos; and Stiel and Thodos and modified Eucken models. Experimental data and estimates were then regressed to provide the same equation for all compounds. The graphs are applicable for low pressure gas. The presented values may be adjusted to provide values at higher pressure using the methods in Reid, Prausnitz, and Poling (25). Very limited experimental data for gases are available for highly polar and high molecular weight compounds. Also, very few experimental data are available for organic compounds at high temperatures above 600 K. Thus, the values for these compounds and high temperatures should be considered rough approximations. The literature has been carefully searched in construction of the graphs. The references are given in the section following the graphs near the end of the book. The references provide documentation for the original sources used in preparing the work. The equations for liquid and gas thermal conductivities are: loglo ~liq -- A + B [ 1 - T/C ]2/7 ~gas A + B T + C T 2

(liquid) (gas)

="

The coefficients for the equations are provided in the appendix near the end of the book. The tabulated values are especially arranged for quick usage with hand calculator or computer. Computer programs, containing coefficients for all compounds, are available for liquid and gas. vii

Each program is in ASCII which can be accessed by other software. For information, contact Carl L. Yaws, Ph.D., P.O. Box 10053, Beaumont, Texas 77710, phone/fax (409) 880-8787. A list of compounds is also given near the end of the book to aid the user in quickly locating the compound of interest by the chemical formula or name.

viii

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API Research Project No. 44, SELECTED VALUES OF PHYSICAL AND THERMODYNAMIC PROPERTIES OF HYDROCARBONS AND RELATED COMPOUNDS, Carnegie Press, Carnegie Institute of Technology, Pittsburgh, PA (1953). SELECTED VALUES OF PROPERTIES OF HYDROCARBONS AND RELATED COMPOUNDS, Thermodynamics Research Center, TAMU, College Station, TX (1977, 1984). SELECTED VALUES OF PROPERTIES OF CHEMICAL COMPOUNDS, Thermodynamics Research Center, TAMU, College Station, TX (1977, 1987). .TECHNICAL DATA BOOK - PETROLEUM REFINING, Vol. I and II, American Petroleum Institute, Washington, DC (1972, 1977, 1982). Daubert, T. E. and R. P. Danner, DATA COMPILATION OF PROPERTIES OF PURE COMPOUNDS, Parts 1, 2, 3 and 4, Supplements 1 and 2, DIPPR Project, AIChE, New York, NY (1985-1992). Ambrose, D., VAPOUR-LIQUID CRITICAL PROPERTIES, National Physical Laboratory, Teddington, England, NPL Report Chem 107 (Feb., 1980). Simmrock, K. H., R. Janowsky and A. Ohnsorge, CRITICAL DATA OF PURE SUBSTANCES, Vol. II, Parts 1 and 2, Dechema Chemistry Data Series, 6000 Frankfurt/Main, Germany (1986). INTERNATIONAL CRITICAL TABLES, McGraw-Hill, New York, NY (1926). Maxwell, J. B., DATA BOOK ON HYDROCARBONS, D. Van Nostrand, Princeton. NJ (1958). Egloff, G., PHYSICAL CONSTANTS OF HYDROCARBONS, Vols. 1-6, Reinhold Publishing Corp., New York, NY (1939-1947). Braker, W. and A. L. Mossman, MATHESON GAS DATA BOOK, 6th ed., Matheson Gas Products, Secaucaus, NJ (1980). CRC HANDBOOK OF CHEMISTRY AND PHYSICS, 66th- 74th eds., CRC Press, Inc., Boca Raton, FL (1985-1993). .LANGE'S HANDBOOK OF CHEMISTRY, 13th and 14th eds., McGraw-Hill, New York, NY (1985, 1992). PERRY'S CHEMICAL ENGINEERING HANDBOOK, 6th ed., McGraw-Hill, New York, NY (1984). Kaye, G. W. C. and T. H. Laby, TABLES OF PHYSICAL AND CHEMICAL CONSTANTS, Longman Group Limited, London, England (1973). Raznjevic, Kuzman, HANDBOOK OF THERMODYNAMIC TABLES AND CHARTS, Hemisphere Publishing Corporation, New York, NY (1976). Vargaftik, N. B., TABLES ON THE THERMOPHYSICAL PROPERTIES OF LIQUIDS AND GASES, 2nd ed., English translation, Hemisphere Publishing Corporation, New York, NY (1975, 1983). Timmermans, J., PHYSICO-CHEMICAL CONSTANTS OF PURE ORGANIC COMPOUNDS, Vol. 1 and 2, Elsevier, New York, NY (1950,1965). Ho, C. Y., P. E. Liley, T. Makita and Y. Tanaka, PROPERTIES OF INORGANIC AND ORGANIC FLUIDS, Hemisphere Publishing Corporation, New York, NY (1988). Tsederberg, N. V., THERMAL CONDUCTIVITY OF GASES AND LIQUIDS, R. D. Cess, editor, MIT Press, Cambridge, MA (1965). Vargaftik, N. B., L. P. Filippov, A. A. Tarzimanov and E. E. Totskiy, THERMAL CONDUCTIVITY OF GASES AND LIQUIDS, Standards Press, Moscow, USSR (1978). Landolt-Bomstein, ZAHLENWERTE UND FUNKIONEN ANS PHYSIK, CHEMEI, ASTRONOMIE UND TECHNIK, 6th ed., Springer-Verlag, Berlin, Germany (1972). Touloukian, Y. S., P. E. Liley and S. C. Saxena, THERMOPHYSICAL PROPERTIES OF MATTER, Vol. 11 - Viscosity, IFI/Plenum Press, New York, NY (1974). Lyman, W. J., W. F. Reehl and D. H. Rosenblatt, HANDBOOK OF CHEMICAL PROPERTY ,9

12. 13. 14. 15. 16. 17. 18. 19. 20. 21. 22. 23. 24.

25. 26. 27. 28.

29. 30.

ESTIMATION METHODS, McGraw-Hill, New York, NY (1982). Reid, R. C., J. M. Prausnitz and B. E. Poling, THE PROPERTIES OF GASES AND LIQUIDS, 3rd ed. (R. C. Reid and T. K. Sherwood), 4th ed., McGraw-Hill, New York, NY (1977, 1987). Kirk, R. E. and D. F. Othmer, editors, ENCYCLOPEDIA OF CHEMICAL TECHNOLOGy, 3rd ed., Vols. 1-24, John Wiley and Sons, Inc., New York, NY (1978-1984). Beaton, C. F. and G. F. Hewitt, PHYSICAL PROPERTY DATA FOR THE DESIGN ENGINEER, Hemisphere Publishing Corporation, New York, NY (1989). Yaws, C. L., PHYSICAL PROPERTIES, McGraw-Hill, New York, NY (1977). Yaws, C. L., THERMODYNAMIC AND PHYSICAL PROPERTY DATA, Gulf Publishing Co., Houston, TX (1992). Yaws, C. L. and R. W. Gallant, PHYSICAL PROPERTIES OF HYDROCARBONS, Vols. 1 (2nd ed.), 2 (3rd ed.) and 3 (lst ed.), Gulf Publishing Co., Houston, TX (1992, 1993, 1993).

Appendix A COEFFICIENTS FOR LIQUID THERMAL CONDUCTIVITY EQUATION. Carl L. Yaws, Xiaoyan Lin, Li Bu and Sachin Nijhawan Lamar University, Beaumont, Texas

1 2 3 4 5 6 7

C8H4CL202 C8H403 C8H604 C8H604 C8H604 C8H6S C8H7N 8 C8H8 9 C8H80 10 C8H80 11 C8H802 12 C8H802 13 C8H802 14 C8H803 15 C8H803 16 C8H9NO 17 C8H10 18 C8H10 19 C8H10 20 C8H10 21 C8H100 22 C8H100 23 C8H100 24 C8H100 25 C8H100 26 C8H100 27 C8H100 28 C8H100 29 C8H100 30 C8H100 31 C8H11N 32 C8H1I N 33 C8H11N 34 C8H11NO 35 C8H12 36 C8H12 37 C8H1204 38 C8H1204 39 C8H1402 40 C8H1403 41 C8H1404 42 C8H16 43 C8H16 44 C8H16 45 C8H16 46 C8H16 47 C8H16 48 C8H16 49 C8H16 50 C8H16 51 C8H16 52 C8H16 53 C8H16 54 C8H16 55 C8H16 56 C8H16 57 C8H16

-

ISOPHTHALOYL CHLORIDE

1.7803 -1.6831

PHTHALIC ANHYDRIDE ISOPHTHALIC ACID PHTHALIC ACID TEREPHTHALIC A C I D BENZOTHIOPHENE INDOLE STYRENE ACETOPHENONE

---

___

--*

METHYL BENZOATE 0-TOLUIC A C I D p-TOLUIC A C I D METHYL SALICYLATE VAN ILL I N ACETANILIDE ETHYLBENZENE 0-XYLENE p-XY LENE m-ETHYLPHENOL p-ETHYLPHENOL

1,4-CYCLOHEXANEDICARBOXYLIC DIETHYL MALEATE n-BUTYL METHACRYLATE BUTYRIC ANHYDRIDE DIETHYL SUCCINATE

-1.6225 1-4237 -1.6255 -1.1910 -1.1954 -1.1950 -1.2065 -1.6115 -1.1839 -1.5076 1.6969 -1.7344 -1.7085 -1 -6838 -1.7094 -1.7081 -1.7114 -1.7073 -1.6905 -1.7317 -1.7558 -1.7459 -1 2763 1.7537 -1.7435 -1.7459 -1.7647 -1.7405 -1.7709 -1.7315 -1.6274 -1.6935 -1.6905 -1.6921 -1.7409 -1.7673

0.9776 0.6814 0.9898 0.4541 0.4501 0.4487 0.4624 0.9738 0.4551 0.7769 0.9915 0.9957 1.0051 0.9633 0.9809 1.0707 0.9736 0.9923 0.9930 0.9849 1.0033 0.9949 0.4639 0.9909 0.9882 0.9896 1.0023 0.9818 0.9929 0.9795 0.9136 0.9937 0.9884 0.9901 0.9779 0.9910

716.45 647.15 684.00 722.95 707.65 707.05 701.05 729.95 715.65 687.15 704.00 653.00 754.00 645.00 599.00 889.00 680.00 616.00 639.00 660.00 591.15 606.15 596.15 591.15 598.00 598.15 590.15 609.15 574.00 582.00 566.60 577.00 574.00 573.00 603.00 553.00

-

PHENETOLE

-

ACID

1,l-DIMETHYLCYCLOHEXANE

cis-1,2-DIMETHYLCYCLOHEXANE trans-1,2-DIMETHYLCYCLOHEXANE cis-1,3-DIMETHYLCYCLOHEXANE trans-1,3-DIMETHYLCYCLOHEXANE cis-1,4-DIMETHYLCYCLOHEXANE trans- 1,4-D IMETHYLCYCLOHEXANE ETHYLCYCLOHEXANE

-

2-ETHYL-1-HEXENE 1-METHYL-1-ETHYLCYCLOPENTANE

1-0CTENE trans-2-OCTENE trans-3-OCTENE trans-4-OCTENE n-PROPYLCYCLOPENTANE

--701 -00 698.00 693.00 751.00 773.00 701 .OO 777.00 825.00 617.17 617.05 630.37 616.26

___

2-PHENYLETHANOL 2,3-XYLENOL 2,4-XYLENOL 2,5-XYLENOL 2,6-XYLENOL 3,4-XYLENOL 3,s-XYLENOL N,N-DIMETHYLANILINE 0-ETHYLANILINE 2,4,6-TRIMETHY LPYRID INE p-PHENETIDINE 1,5-CYCLOOCTADIENE VINYLCYCLOHEXENE

---

---.

I.0008 0.9961 1.0002 1.5494 1.0074 0.9769 0.9641 0.9423 0.9822 1.0230 1.0237 1.0437 1.0193 1.0282 1.0254

-

m-XYLENE

___

768.00 791 00

-1.7276 -1.6837 -1 -7023 2.0849 -1 -7596 -1 -6414 -1.6254 -1.5980 -1.6717 -1.7080 -1.7347 -1.7498 1.7286 -1.7372 -1.7354

-

p-TOLUALDEHYDE

1.0149 1.0293

---

754.00 790.00

648.00

---

317 404

730 751

305 274 243 294 290 261 377 453 265 355 387 178 225 248 286

716 75 1 616 666 663 658 713 734 666 738 784 586 586 5 99 585

318 244 247 346 298 348 319 338 337 276 227 229 277 204 164 586 264 223

68I 615 650 687 672 672 666 693 680 653 669 620 716 613 569 845 646 585 607 627 562 576 566 562 568 568 561 5 79 545 553 538 548 545 544 573 525

--- ---

200 252 240 223 185 198 183 186 236 162 173 129 171 185 163 179 156 180

---

___ ___ --- -----

--- ----- ___

---

---

0.1535 0.1369 0.1728 0.1258 0.1550

___ --0.1468 ___ ___

0.1302 0.1305 0.1315 0.1298

--___

0.1404 0.1640

---

___ ----___

0.1547

0.1422 0.1413 0.1265 0.1452 0.1327 0.1248

---

0.1301 0.1300 0.1378 0.1252 0.1162 0.1186 0.1271 0.1141 0.1169 0.1166 0.1135 0.1174 0.1082 0.1165 0.1290 0.1299 0.1292 0.1290 0.1158 0.1064

2,4,4-TRIMETHYL-I-PENTENE ______________-__-_-____________________-----------------------------------------------------------

*

A computer program, containing c o e f f i c i e n t s f o r a l l compounds, i s available f o r a nominal fee. The computer program i s i n A S C I I which can be accessed by other software.

366

____

NO

FORMULA

_--_--___--___--___-_______ _ _ _ _ _ - - - _NAME -

2,4,4-TRIMETHYL-2-PENTENE 58 C8H16 59 C8H160 2-ETHYLHEXANAL 1-0CTANAL 60 C8H160 2-OCTANONE 61 C8H160 n-BUTYL n-BUTYRATE 62 C8H1602 63 C8H1602 n-HEXYL ACETATE 64 C8H1602 ISOBUTYL ISOBUTYRATE n-OCTANOIC ACID 65 C8H1602 DIETHYLENE GLYCOL ETHYL ETHER ACETATE 66 C8H1604 2.2-DIMETHYLHEXANE 67 C8H18 68 C8H18 2i3-DIMETHYLHEXANE 69 C8H18 2,4-DIMETHYLHEXANE 2,s-DIMETHYLHEXANE 70 C8H18 71 C8H18 3,3-DIMETHYLHEXANE 3,4-DIMETHYLHEXANE 72 C8H18 3-ETHYLHEXANE 73 C8H18 3-METHYL-3-ETHYLPENTANE 74 C8H18 2-METHYLHEPTANE 75 C8H18 76 C8H18 3-METHYLHEPTANE 77 C8H18 4-METHYLHEPTANE n-OCTANE 78 C8H18 2,2,3-TRIMETHYLPENTANE 79 C8H18 2,2,4-TRIMETHYLPENTANE 80 C8H18 2,3,3-TRIMETHYLPENTANE 81 C8H18 2,3,4-TRIMETHYLPENTANE 82 C8H18 DI-n-BUTYL ETHER 83 C8H180 DI-sec-BUTYL ETHER 84 C8H180 DI-tert-BUTYL ETHER 85 C8H180 2-ETHYL-1-HEXANOL 86 C8H180 87 C8H180 1-0CTANOL 2-OCTANOL 88 C8H180 89 C8H1802 D I - t - B U T Y L PEROXIDE 90 C8H1802S DI-n-BUTYL SULFONE DIETHYLENE GLYCOL DIETHYL ETHER 91 C8H1803 DIETHYLENE GLYCOL MONOBUTYL EHTER 92 C8H1803 93 C8H1804 TRIETHYLENE GLYCOL DIMETHYL ETHER TETRAETHYLENE GLYCOL 94 C8H1805 95 C8H18S n-OCTYL MERCAPTAN tert-OCTYL MERCAPTAN 96 C8H18S 97 C8H19N DI-n-BUTYLAMINE 98 C8H19N DIISOBUTYLAMINE 99 C8H19N n-OCTYLAMINE 100 C8H23N5 TETRAETHYLENEPENTAMINE 101 C8H2404Si4 OCTAMETHYLCYCLOTETRASILOXANE TRIMELLITIC ANHYDRIDE 102 C9H405 103 C9H6N202 TOLUENE DIISOCYANATE ISOQUINOLINE 104 C9H7N QUI NOL I NE 105 C9H7N 106 C9H7NO 8-HYDROXYQUINOLINE 107 C9H8 INDENE 2-METHYLBENZOFURAN 108 C9H80 INDANE 109 C9H10 alpha-METHYLSTYRENE 110 C9HlO 111 C9H10 m-METHYLSTYRENE 0-METHYLSTYRENE 112 C9H10 p-METHYLSTYRENE 113 C9H10 BENZYL ACETATE 114 C9H1002 115 C9H1002 ETHYL BENZOATE ETHYL V A N I L L I N 116 C9H1003 p-DIMETHYLAMINOBENZALDEHYDE 117 C9HllNO CUMENE 118 C9H12 119 C9H12 m-ETHYLTOLUENE 0-ETHYLTOLUENE 120 C9H12 121 C9H12 p-ETHYLTOLUENE 122 C9H12 MESITYLENE n-PROPYLBENZENE 123 C9H12 1,2,3-TRIMETHYLBENZENE 124 C9H12 1,2,4-TRIMETHYLBENZENE 125 C9H12

-1.7646 1 .7220 -1.7252 -1.6779 -1.7168 1.3859 1.7293 -1.6624 -1.7930 -1.7714 -1.7995 -1.8086 -1.7869 -1 -7657 -1.7937 -1.7971 -1.7687 -1 -7035 -1.7146 1.7083 -1.8388 -1.7705 -1.6144 -1.7681 -1.7695 -1.4074 -1.7430 -1.7549 -1.6754 -1.6972 -1.2061 -1.7630 -1.7352 -1.4158 -1.3443 -2.2323 - 1 -6415 1 .7402 -1.7613 - 1.6042 -1.7621 -1.0950 -1.6786 - 1 .a019 -1.5385 -1.7078 -1.7402 -1.8878 -1.7414 -1.6863 -1.7593 -1.7070 1.7068 -1.6988 -1.7026 -1.7070 -1.6849 1.6750 -1.6942 -1.7582 -1.1835 -1.7189 -1.7176 -1.7291 -1.2339 -1.7052 -1.6931 -1.7273

-

--

-

-

-

0.9898 0.9981 1.0125 0.9911 0.9953 0.6458 0.9957 0.9819 1.0113 0.9821 1.0203 1.0259 0 -9989 0.9782 1.0161 1.0170 0.9873 0.9932 0.9986 0.9985 1.1699 0.9879 0.7698 0.9870 0.9879 0.6132 0.9913 0.9830 0.9952 1.0775 0.4359 1.0153 1.0149 0.7047 0.6670 1.7319 0.9871 0.9950 0.9948 0.8870 0.9963 0.3289 1.0022 1.0388 1.0319 0.9876 0.9953 1.2178 1.0149 1.0061 1.0104 0.9855 0.9915 0.9833 0.9871 0.9953 0.9991 0.9835 1.0286 1.0148 0.3543 0.9845 0.9874 0.9935 0.4698 0.9688 0.9586 1.0028

558.00 607.00 621 -00 624.00 616.00 618.00 602.00 692.00 660.00 549.80 563.40 553.50 550.00 562.00 568.80 565.40 576.50 559.64 563.67 561.74 568.83 563.50 543.96 573.50 566.30 581 -00 559.00 550.00 640.25 652.50 637.15 547.00 767.00 624.00 654.00 651.00 722.00 664.00 627.00 607.50 580.00 627.00 774.00 586.50 890.00 737.00 803.15 782.15 788.00 687.00 698.00 684.90 654.00 657.00 659.00 665.00 699.00 698.00 748.00 832.00 631.15 637.15 651.15 640.15 637.36 638.38 664.53 649.13

167 200 246 253 181 192 192 290 248 152 272 272 182 147 272 272 182 164 153 152 216 161 166 172 164 178 173 195 203 258 242 233 318 229 205 229 268 224 199 21 1 203 273 243 291 438 287 299 258 346 272 290 222 250 187 205 239 222 238 351 348 177 178 192 21 1 228 174 248 229

530 577 590 593 585 587 572 657 627 522 535 526 523 534 540 537 548 532 535 534 540 535 517 545 538 552 531 523 608 620 605 520 729 593 621 618 686 63 1 596 5 77 551 596 735 557 846 700 763 743 749 653 663 65 1 62 1 624 626 632 664 663 711 790 600 605 619 608 605 606 63 1 617

0.1074 0.1261 0.1302 0.1397 0.1279 0.1410 0.1230 0.1491 0.1145 0.1033 0.1055 0.1032 0.1028 0.1053 0.1067 0.1057 0.1079 0.1246 0.1232 0.1248 0.1281 0.1062 0.0998 0.1077 0.1068 0.1235 0.1133 0.1075 0.1434 0.1614 0.1438 0.1116

-__

0.1478 0.1645 0.1666 0.1608 0.1256 0.1164 0.1341 0.1118 0.1508 0.1562 0.1112

---

___ ___

0.1393 0.1493 0.1475 0.1266 0.1349 0.1338 0.1344 0.1344 0.1358 0.1470 0.1458

___

_-_ 0.1293 0.1268 0.1292 0.1263 0.1440 0.1271 0.1305 0.1300

...................................................................................................

*

A computer program, containing c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal fee. The computer program i s i n A S C I I which can be accessed by other software.

367

126 C9H120 127 C9H120 128 C9H1202 129 C9H140 130 C9H1406 131 C9H1604 132 C9H18 133 C9H18 134 C9H18 135 C9H180 136 C9H180 137 C9H1802 138 C9H1802 139 C9H1802 140 C9H20 141 C9H20 142 C9H20 143 C9H20 144 C9H20 145 C9H20 146 C9H20 147 C9H20 148 C9H20 149 C9H20 150 C9H20 151 C9H20 152 C9H20 153 C9H20 154 C9H200 155 C9H200 156 C9H200 157 C9H20S 158 C9H21N 159 C9H21N 160 C10H608 161 ClOH7Br 162 ClOH7Cl 163 C10H8 164 ClOH9N 165 C10H10 166 C l O H l O 167 C10H10 168 C10H1004 169 C10H1004 170 C10H12 171 ClOH12 172 C10H120 173 C10H1204 174 C10H14 175 C10H14 176 C10H14 177 C10H14 178 C10H14 179 C10H14 180 C10H14 181 C10H14 182 C10H14 183 C10H14 184 C10H14 185 C10H14 186 C10H14 187 C10H14 188 C10H14 189 C10H14 190 C10H14 191 C10H14 192 C10H140 193 C10H1402

BENZYL ETHYL ETHER

2-PHENYL-2-PROPANOL CUMENE HYDROPEROXIDE ISOPHORONE GLYCERYL TRIACETATE AZELAIC ACID ISOPROPYLCYCLOHEXANE 1-NONENE n-PROPYLCYCLOHEXANE DIISOBUTYL KETONE 1-NONANAL n-BUTYL VALERATE n-NONANOIC A C I D n-OCTYL FORMATE 3,s-D IETHYLPENTANE 2,2-DIMETHYL-3-ETHYLPENTANE

0.9805 662.00 0.9738 660.00 1.0150 605.00 0.9905 715.00 0.9843 704.00 0.9721 811.00 0.9867 627.00 1.0743 593.25 0.9859 639.15 0.9749 615.00 0.6593 640.00 0.9996 629.00 0.7282 703.00 0.6256 645.00 1.0016 610.05 0.9898 590.00 0.9791 591 .OO 0.9861 576.80 0.9880 579.00 0.9841 590.00 0.9857 586.75 0.9901 590.15 0.9856 587.65 1.1033 595.65 1.0142 610.85 0.9829 592.15 0.9966 571.35 2.0588 568.05 0.9921 603.00 0.8197 673.00 0.9763 623.00 1.0012 681.00 0.3278 648.00 0.7943 577.50 1.0653 893.00 0.9932 824.00 0.9531 785.00 0.1860 748.35 0.9944 773.00 0.9876 692.00 1 .0236 703.00 1.0236 684.00 0.9331 766.00 1.0367 772.00 0.9683 660.00 0.3017 720.15

---

629 627 575 679 669 770 596 564 607 584 608 598 668 613 580 561 561 548 550 561 557 561 558 566 580 563 543 540 573 639 592 647 616 549 848 783 746 71 1 734 657 668 650 728 733 627 684

0.1370

---

276 309 264 265 277 380 184 192 178 227 255 180 286 234 240 174 151 160 170 158 193 166 160 220 263 152 207 167 208 268 238 253 273 180 554 279 269 353 272 206 350 353 272 414 307 237

-_-

0.1297

-1.7974 -1.8105 -1.7383 -1.5954 -1.7415 -1.7317 1 .7448 -1.7413 - 1.7429 -1.7474 -1.7417 1.7425 -1.7371 -1.7409 -1 .E81 -1.7354 -1.7490 -1.7441 - 1.3032 -1.6377 -1.7032

1.0330 1.0843 0.9837 0.7911 0.9895 0.9853 0.9921 0.9888 0.9984 0.9969 1.0025 0.9982 0.9951 0.9952 0.9903 0.9854 0.9961 1.0028 0.4911 0.9639 1.0160

693.00 660.55 664.54 660.00 657.00 662.00 653.15 663.00 668.00 657.96 671 -00 663.00 680.00 665.00 667.00 655.00 650.15 679.00 675.15 734.00 776.00

226 185 198 215 209 202 205 189 242 230 257 220 224 210 206 189 222 249 352 3 72 325

658 628 63 1 627 624 629 620 630 63 5 625 637 630 646 63 2 634 622 618 645 64 1 697 737

0.1208 0.1267 0.1235 0.1177 0.1233 0.1255 0.1227 0.1237 0.1260 0.1235 0.1276 0.1256 0.1279 0.1255 0.1253 0.1239 0.1222 0.1276

-

-

2,4-DIMETHYL-3-ETHYLPENTANE 2,2-DIMETHYLHEPTANE 2,6-DIMETHYLHEPTANE 3-ETHYLHEPTANE 2-METHYLOCTANE 3-METHYLOCTANE 4-METHYLOCTANE n-NONANE 2,2,3,3-TETRAMETHYLPENTANE 2,2,3,4-TETRAMETHYLPENTANE 2,2,4,4-TETRAMETHYLPENTANE 2,2,5-TRIMETHYLHEXANE 2,6-DIMETHYL-4-HEPTANOL 1-NONANOL 2-NONANOL

-

-

n-NONYL MERCAPTAN n-NONYLAMINE TRIPROPYLAMINE PYROMELLITIC A C I D

1-BROMONAPHTHALENE 1-CHLORONAPHTHALENE NAPHTHALENE QUINALDINE m-DIVINYLBENZENE

-

1-METHYLINDENE 2-METHYLINOENE DIMETHYL PHTHALATE DIMETHYL TEREPHTHALATE DICYCLOPENTAOIENE 1,2,3,4-TETRAHYDRONAPHTHALENE

--_

ANETHOLE

DIALLYL MALEATE n-BUTYLBENZENE

sec-BUTYLBENZENE tert-BUTYLBENZENE m-CYMENE 0-CYMENE

-

p-CYMENE m-DIETHYLBENZENE 0-DIETHYLBENZENE

p-DIETHYLBENZENE 2-ETHYL-m-XYLENE 2-ETHYL-p-XYLENE 3-ETHYL-0-XYLENE 4-ETHYL-m-XYLENE 4-ETHYL-0-XYLENE 5-ETHYL-m-XYLENE

-

ISOBUTYLBENZENE

___

-1.6898 -1.6545 -1.8736 -1.6075 -1.7907 -1.6152 1.7546 -1.8036 -1.7622 -1.6430 1.3939 -1.7291 -1.4696 -1.3800 -1.7892 1.7833 1.7726 -1.7894 -1.7923 -1.7835 -1.6942 -1.7918 -1.7871 1 .7865 1-7988 1 .7758 -1.7906 -2.6081 -1.6993 -1.4848 -1.6670 1.7464 -1.0924 -1 -5650 -1.8637 -1.8040 -1.7189 -1.0304 -1.7357 -1 -7132 1.7259 -1.7191 -1.6451 -1.7191 -1.6755 -1.1461

---

0.0917 0.1744 0.1123

_-_

0.1164 0.1192 0.1152 0.1458 0.1436 0.1267 0.1420 0.1393 0.1091 0.1062 0.1068 0.1027 0.1026 0.1050 0.1290 0.1042 0.1042 0.1313 0.1093 0.1069 0.1039 0.1139 0.1309 0.1617 0.1392 0.1267 0.1522 0.1204

___

0.1174 0.1296

---

0.1347 0.1341

___ --0.1463 _---_ _ _--

___ _____ _ _-____--________________________________----------------------------------------------------------1,2,3,S-TETRAMETHYLBENZENE 1,2,4,5-TETRAMETHYLBENZENE

p-tert-BUTYLPHENOL p-tert-BUTYLCATECHOL

* A computer program, containing c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal fee. The computer program i s i n A S C I I which can be accessed by other software. 368

_ _ _ -FORMULA _ _ - - _ _ _ _NAME . -. ._. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

NO

- - - A- - - - - - B- - _ - - - C- - - -

TMIN TMAX

_ _ - _ ----

194 CIOH15N N,N-DIETYHLANILINE -1.6971 0.9932 702.00 235 667 195 CIOH15N 2,6-DIETHYLANILINE -1.7114 1.0163 678.00 277 644 - 1.7932 1 .0634 638.00 320 606 196 C10H16 CAMPHENE - 1.7644 1.0003 660.00 199 627 197 C10H16 D-LIMONENE 198 C10H16 alpha-PHELLANDRENE - 1 .?685 1.0155 649.00 220 617 -1.7421 0.9796 648.00 220 616 199 ClOHl6 beta-PHELLANDRENE -1.7430 0.9964 632.00 209 600 200 C10H16 alpha-PINENE 212 611 - 1 .7360 0.9914 643.00 201 C10H16 beta-PINENE 202 C10H16 alpha-TERPINENE -1.7476 0.9807 652.00 220 619 203 C10H16 gamna-TERPINENE -1.7441 0.9824 661.00 220 628 -1.7885 1.0404 672.00 220 638 204 C10H16 TERPINOLENE -1.5928 0.9230 709.00 453 674 205 C10H160 CAMPHOR 230 667 -1.3879 0.5151 702.25 206 C10H18 cis-DECAHYDRONANPHTALENE -1.3710 0.4977 687.05 243 653 207 C10H18 trans-DECAHYDRONAPHTHALENE 208 C10H1804 SEBACIC ACID -1.6287 0.9779 815.00 408 774 209 C10H20 n-BUTYLCYCLOHEXANE -1.7790 0.9871 667.00 198 634 -1 -7491 1.0443 617.05 207 586 210 C10H20 1-DECENE 211 C10H200 1-DECANAL - 1 .5334 0.8250 657.00 267 624 212 C10H2002 n-DECANOIC ACID -1.4112 0.6591 713.00 305 677 213 C10H2002 2-ETHYLHEXYL ACETATE - 1 .7576 1 .0042 639.00 180 607 214 C10H2002 ISOPENTYL ISOVALERATE - 1.7570 0.9960 637.00 215 605 215 C10H22 n-DECANE - 1 .7768 1 .0839 618.45 243 588 216 C10H22 2,2-DIMETHYLOCTANE -1.8164 1.0045 602.00 225 572 217 C10H22 2-METHYLNONANE -1.6900 0.9850 610.00 199 580 -1.6908 0.9873 613.00 188 582 218 C10H22 3-METHYLNONANE -1.6992 0.9962 610.00 174 580 219 C10H22 4-METHYLNONANE -1.6942 0.9883 610.00 185 580 5-METHYLNONANE 220 C10H22 221 C10H220 1 -DECANOL -1.5529 0.8957 690.00 280 656 - 1 -7493 0.9842 622.00 204 591 222 C10H220 DI-n-PENTYL ETHER -1.6789 0.9937 644.00 213 612 223 C10H220 ISODECANOL -1.7110 1.0058 705 .OO 243 670 224 C10H2205 TETRAETHYLENE GLYCOL DIMETHYL ETHER 225 C10H22S n-DECYL MERCAPTAN - 1 .E76 1.0045 696.00 248 661 -1.1406 0.3816 663.00 289 630 226 C10H23N n-DECYLAMINE -1.7031 0.9920 772.04 243 733 1-METHYLNAPHTHALENE 227 CllHlO 308 723 -1.7240 1.0073 761 .OO 228 CllHlO 2-METHYLNAPHTHALENE -1.7114 0.9826 724.00 252 688 229 C11H1402 n-BUTYL BENZOATE 198 646 -1.7786 1.0126 679.90 230 CIlH16 n-PENTYLBENZENE -1.6402 0.9691 751 .OO 366 713 p-tert-AMYLPHENOL 231 CllHl60 - 1 .7687 1 .0030 655 .OO 183 622 232 C11H2002 2-ETHYLHEXYL ACRYLATE -1.7475 1.0119 638.00 224 606 233 C11H22 1-UNOECENE -1.7583 1.0167 672.00 273 638 234 CllH220 1-UNDECANAL -1.6318 0.9325 638.76 248 607 235 CllH24 n-UNDECANE -1.6798 0.9957 704.00 289 669 236 CllH240 1-UNDECANOL -1.7714 1.0137 710.00 270 675 237 CllH24S UNDECYL MERCAPTAN - 1 .?205 0.9746 837.80 356 796 238 C12H80 DIBENZOFURAN -1.6626 1.0379 899.00 518 854 239 C12H9N DIBENZOPYRROLE -1.2648 0.4524 803.15 367 763 ACENAPHTHENE 240 C12H10 -1.4292 0.6647 789.26 342 750 241 C12H10 BIPHENYL -1.5285 0.7853 763.00 300 725 242 C12H100 DIPHENYL ETHER 243 Cl2HllN p-AMINODIPHENYL - 1 -7466 1 -0067 817.00 326 776 -1.2631 0.4669 817.00 326 776 244 Cl2HllN DIPHENYLAMINE - 1.7397 1.0227 877.00 401 833 245 C12H11N3 p-AMINOAZOBENZENE -1.7757 1.0175 845.00 372 803 246 C12HllN3 1,3-DIPHENYLTRIAZENE - 1 .7473 1 -0248 777.00 385 738 247 C12H12 2,6-DIMETHYLNAPHTHALENE - 1 .7439 1 .0203 778.00 370 739 248 C12H12 2,7-DIMETHYLNAPHTHALENE - 1 .7225 0.9971 776.00 259 737 249 C12H12 I-ETHYLNAPHTHALENE 250 C12H12N2 p-AMINODIPHENYLAMINE -1.7000 1.0101 867.00 341 824 ----_-- - _ _ --251 C12H12N2 HYDRAZOBENZENE 252 C12H14 1,2,3-TRIMETHYLINDENE - I .7299 1.0200 726.00 345 690 -1.3265 0.5567 757.00 269 719 253 C12H1404 DIETHYL PHTHALATE -1.7275 0.9671 744.00 280 707 254 C12H16 CYCLOHEXYLBENZENE 255 C12H18 m-DIISOPROPYLBENZENE - 1 .?699 0.9902 684.00 210 650 -1.7814 1.0018 689.00 256 655 256 C12H18 p-DIISOPROPYLBENZENE -1.7737 0.9910 698.00 21 2 663 257 C12H18 n-HEXYLBENZENE 258 C12H2004 DIBUTYL MALEATE -1.8319 1.0337 716.00 188 680 - 1 .7808 1 .0044 727.00 277 691 259 C12H22 BICYCLOHEXYL -1.8152 1.0039 737.00 273 700 260 C12H23N DICYCLOHEXYLAMINE - 1 -6991 0.9948 657.00 238 624 261 C12H24 1-DODECENE - -_- _ - -_-_ - -_-_ - -_--_-------- -- - --- -- -_---- -- -_._ - - _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _.___- _ * A computer program, containing coefficients for all compounds, is avaiilable f or a n,omina L computer program i s in ASCII which can be accessed by other software.

369

0.1212 0.1200 0.1223 0.1241 0.1191 0.1212 0.1234

--_

0.1127 0.1127

--_

0.1134 0.1305 0.1448

--_

0.1206 0.1187 0.1322 0.1023 0.1328 0.1335 0.1328 0.1323 0.1618 0.1168 0.1423 0.1408 0.1314 0.1517 0.1445

---

0.1358 0.1202

--_

0.1187 0.1252 0.1263 0.1404 0.1482 0.1248

_-_--

_---_ -------

---

-------

0.1398

----_--

0.1432 0.1282 0.1177 0.1177 0.1179 0.1133 0.1210 0.1123 0.1373

-------T

- K)

.--------

____ _--_______ ___________________-________________ -------

NO

FORMULA

NAME

C12H240 C12H2402 C12H26 C12H260 C12H260 C12H2603 C12H26S C12H27B03 C12H27N C12H27N C13H10 C13H100 C13H12 C13H20 C13H26 C13H260 C13H2602 C13H2602 C13H28 C13H280 C14H802 C14H10 C14H10 C14H10 C14H12 C14H12 C14H1202 C14H14 C14H14 C14H140 C14H16 C14H22 C14H220 C14H28 C14H2802 C14H30 C14H300 C14H31N C15HlON202 C15H160 C15H1602 C15H24 C15H240 C15H240 C15H30 C15H3002 C15H32 C16H10 C16H10 C16H12 C16H20 Cl6H2204 C16H26 C16H32 C16H32 C16H3202 C16H34 C16H340 C16H340 C17H28 C17H34 C17H36 C17H360 C18H12 C18H14 C18H14 C18H14 C18H15P

1-DODECANAL

C

-1.7316 -1.4322 -1.7989 -1.5209 -1.3911 -1.4951 -1.7831

1.1109 0.7658 0.6474 0.7795 1.0100

-1.1301 1.4764 1.6208 -1.5854 -1.4751 -1.7909 -1.7092 -1.7559 -1.8021 1.7783 -1.6564 -1 d o 5 1 -1.5523 -1.2472 -1.7656 -1.0147 -1 .7315 -1.7801 -1.7335 -1.7429 -1.7400 1.7666 -1.7347 -1.8063 -1.6666 -1.6917 -1.3018 -1.6813 1.4537 -1.7823 -1.8483 -1.7658 -1.6286 -1.8155 1.6963 -1.6850 -1 -7166 -1.6873 -1.7650 -1.7217 -1.1478 -1.7308 -1.7818 -1.6470 -1.8290 -1.8492 -1.7204 -1.6139 -1.8486 -1.8375 -1.7942 -1.8347 -1.7147 -1.5446 -1.7864 -1.7230 -1.2834 -1.4433 -1.5067 -1.7693

0.3850 0.6715 1.0116 0.9864 0.7029 0.9965 1.0068 1.0201 0.9790 0.9870 0.9372 1.1252 0.9688 0.4397 1.0030 0.1435 0 -9996 1.0841 0.9898 0.9996 1.0102 0.9923 0.9739 1.0017 0.9739 0.9840 0.6091 0.9584 0.7984 1.0245 1.0108 1.0169 0.9637 1.0011 0.9674 1.0015 1.0132 0.9778 1-0668 1.0163 0.2832 1.0036 0.9943 0.8980 1.0063 1.0049 1.0172 0.9634 1.1616 0.9775 1.1033 1.0032 1.0094 0.8191 1.0920 1.0425 0.4800 0.6429 0.7626 0.9930

,-

262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329

n-DODECANOIC A C I D n-OODECANE 01-n-HEXYL ETHER

1-OODECANOL DIETHYLENE GLYCOL DI-n-BUTYL ETHER n-DODECYL MERCAPTAN TRI-n-BUTYL BORATE DODECYLAMINE TRI-n-BUTYLAMINE FLUORENE BENZOPHENONE OIPHENYLMETHANE

n-HEPTYLBENZENE 1-TRIDECENE

1-TRIDECANAL n-BUTYL NONANOATE METHYL DODECANOATE

---

-

-

n-TRIDECANE

1-TRIDECANOL ANTHRAQUINONE ANTHRACENE

DIPHENYLACETYLENE PHENANTHRENE

cis-STILBENE trans-STILBENE BENZYL BENZOATE Ill-DIPHENYLETHANE

1,2-OIPHENYLETHANE

-

DIBENZYL ETHER

1-n-BUTYLNAPHTHALENE n-OCTYLBENZENE p-tert-OCTYLPHENOL 1-TETRADECENE n-TETRADECANOIC A C I D n-TETRAOECANE I-TETRADECANOL TETRADECYLAMINE

-

DIPHENYLMETHANE-4,4'-DIISOCYANATE p-CUMYLPHENOL BISPHENOL A n-NONYLBENZENE 2,6-DI-tert-BUTYL-p-CRESOL

-

NONYLPHENOL 1-PENTADECENE PENTADECANOIC A C I D

n-PENTADECANE FLUORANTHENE PYRENE

1-PHENYLNAPHTHALENE 1-n-HEXYLNAPHTHALENE DIBUTYL PHTHALATE n-OECYLBENZENE n-DECYLCYCLOHEXANE

1-HEXADECENE n-HEXADECANOIC ACID n-HEXADECANE D I - n - O C T Y L ETHER 1-HEXADECANOL n-UNDECYLBENZENE I-HEPTADECENE n-HEPTADECANE 1-HEPTADECANOL CHRYSENE

m-TERPHENYL 0-TERPHENYL p-TERPHENYL TRIPHENYLPHOSPHINE

hill

B

A

TMIN

TMAX

658.20 658.00 721 .OO 680.00 724.00

264 230 297 213 265

625 625 685 646 688

696.00 644.00 870.00 816.00 768.00 714.00 675.00 700.00 652.00 712.00 675.80 731 .oo 900.00 873.00 832.00 869.25 757.00 820.00 820.00 775.00 780.00 777.00 792.00 729.00 765.00 692.00 756.00 692.40 741 .OO 722.30 802.00 834.00 849.00 741 .OO 720.00 757.00 708.00 766.00 706.80 905.00 936.00 849.00 813.00 781.00 753.00 751.25 722.00 776.00 720.60 707.00 761.00 764.00 736.00 733.37 770.00 979.00 924.85 890.95 925.95 1008.00

301 203 388 321 298 225 250 288 235 278 268 304 559 489 336 372 268 397 293 255 324 277 253 237 359 260 328 279 311 311 31 1 346 426 249 344 279 269 326 283 383 424 318 255 238 259 271 278 336 291 266 322 268 284 295 327 531 360 329 485 354

661 612 827 775 730 678 64 1 665 619 676 642 694 855 829 790 826 719 779 779 736 74 1 738 752 693 727 657 718 658 704 686 762 792 807 704 684 719 673 728 671 860 889 807 772 742 715 714 686 737 685 672 723 726 699 697 732 930 879 846 880 958

i3 25 C

_ _ - _ - _- - - _ _ _ ---- ---- ------1.OM8 685.00 285 65 1 0.1539 --0.7077 734.00 317 697

---

___

---

___

0.1368 0.1329 0.1461 0.1465 0.1216

----0.1219 -------

0.1156 0.1390 0.1302 0.1047 0.1167 0.1372

______________-_--______________________--------------------------* A computer program, containing c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal computer program i s i n A S C I I which can be accessed by other software.

370

330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363

C18H1504P TRIPHENYL PHOSPHATE C18H16N2 N,N’-DIPHENYL-p-PHENYLENEDIAMINE C18H22 2,3-DIMETHYL-2,3-DIPHENYLBUTANE C18H2202 DICUMYL PEROXIDE n-DODECYLBENZENE C18H30 C18H3202 LINOLEIC A C I D C18H3402 OLEIC A C I D C18H3404 DIBUTYL SEBACATE ~ 1 8 ~ 3 4 0 4DIHEXYL ADIPATE C18H36 1-OCTADECENE C18H3602 STEARIC ACID ~ 1 8 ~ 3 8 n-OCTADECANE DINONYL ETHER C18H380 C18H380 1-OCTAOECANOL C19H26 1-n-NONYLNAPHTHALENE n-TRIDECYLBENZENE C19H32 C19H3602 METHYL OLEATE C19H38 1-NONADECENE C19H3802 NONADECANOIC A C I D C19H40 n-NONADECANE C20H16 TRIPHENYLETHYLENE 1-n-DECYLNAPHTHALENE C2OH28 C20H3002 A B I E T I C A C I D C20H31N DEHYOROABIETYLAMINE C20H40 1-EICOSENE n-EICOSANE C2OH42 1-EICOSANOL C20H420 C21H2104P TRI-0-CRESYL PHOSPHATE ~ 2 2 ~ 4 4 0 2n-BUTYL STEARATE C24H3804 DIISOOCTYL PHTHALATE C24H3804 DIOCTYL PHTHALATE C24H420 DINONYLPHENOL C26H20 TETRAPHENYLETHYLENE C28H4604 DIISODECYL PHTHALATE

__-

-_-

---

---

---

-1.7812 -1.7541 -1.7138 -1 .a479 -1.7073 -2 -9905 1 8794 -1 .a860 -1.7179 - 1 .a215 -1.5198 -1 .a634 -1.6609 -1 .a182 - 1 .a571 -1 .a537 -1.7206 -1.6897 -1.5053 -1.7755 -1.8282 -1.6935 -2.6513 -1.7233 - 1 .a447 -1.7565 1.3800 -1.4902 - 1 .7906 - I.7804 -1.6584 -1.7345 -1.9715

1.0231 1.0268 1.0042 1.0078 0.9823 2.6266 0.9921 0.9986 1.0127 1.1522 0.8067 0.9832 I. o n 8 1.0024 1.0126 0.9858 1.0155 0.9683 0.7902 1.0075 1.0039 0.9517 1.0122 1.oiai 1.1788 1.0513 0.5756 0.7884 0.9976 0238 0.9739 1.0370 1.0041

906.00 805.00 884.00 774.26 775.00 781.00 768.00 767.00 748.00 799.00 745.26 736.00 777.00 849.00 783.00 764.00 760.00 810.00 755.93 908.00 859.00 832.00 863.00 771 .OO 767.04 792.00 806.00 764.00 851 .oo 806.00 886. 00 996.00 887.00

409 392 31 1 276 268 287 264 259 291 343 301 273 33 1 284 283 293 297 341 305 342 288 447 318 302 310 339 240 299 223 223 350 496 228

86 I 765 840 736 736 742 730 729 71 1 759 708 699 738 807 744 726 722 770 718 863 816 790 a20 732 729 75 2 680 726 808 766 842 946 a43

- .

-

*

I.

A computer program, c o n t a i n i n g c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal fee. The computer program i s i n A S C I I which can be accessed by other software.

371

Appendix B COEFFICIENTS FOR GAS THERMAL CONDUCTIVITY EQUATION* Carl L. Yaws, Xiaoyan Lin, Li Bu and Sachin Nijhawan Lamar University, Beaumont, Texas

___ _FORMULA ________

NO

1 2 3 4 5 6

C8H4Cl202 C8H403 C8H604 C8H604 C8H604 C8H6S 7 C8H7N 8 C8H8 9 C8H80 10 C8H80 11 C8H802 12 C8H802 13 C8H802 14 C8H803 15 C8H803 16 C8H9NO 17 C8H10 18 C8H10 19 C8H10 20 C8H10 21 C8H100 22 C8H100 23 C8H100 24 C8H100 25 C8H100 26 C8H100 27 C8H100 28 C8H100 29 C8H100 30 C8H100 31 C8H11N 32 C8H11N 33 C8H11N 34 C8H11NO 35 C8H12 36 C8H12 37 C8H1204 38 C8H1204 39 C8H1402 40 C8H1403 41 C8H1404 42 C8H16 43 C8H16 44 C8H16 45 C8H16 46 C8H16 47 C8H16 48 C8H16 49 C8H16 50 C8H16 51 C8H16 52 C8H16 53 C8H16 54 C8H16 55 C8H16 56 C8H16 57 C8H16

ISOPHTHALOYL CHLORIDE PHTHALIC ANHYDRIDE ISOPHTHALIC A C I D PHTHALIC A C I D TEREPHTHALIC A C I D BENZOTHIOPHENE INDOLE STYRENE ACETOPHENONE

p-TOLUALDEHYDE METHYL BENZOATE 0-TOLUIC A C I D p-TOLUIC A C I D METHYL SALICYLATE VAN ILL IN ACETANILIDE ETHYLBENZENE m-XY LENE 0-XYLENE p-XYLENE m-ETHYLPHENOL p-ETHYLPHENOL PHENETOLE 2-PHENYLETHANOL 2,3-XYLENOL 2,4-XYLENOL 2,5-XYLENOL 2,6-XYLENOL 3.4-XYLENOL 3; 5-XYLENOL N,N-DIMETHYLANILINE O~ETHYLANI LINE

2,4,6-TRIMETHYLPYRIDINE p-PHENETIDINE

1,5-CYCLOOCTADIENE VINYLCYCLOHEXENE

1,4-CYCLOHEXANEDICARBOXYLIC A C I D DIETHYL MALEATE n-BUTYL METHACRYLATE BUTYRIC ANHYDRIDE DIETHYL SUCCINATE 1,l-DIMETHYLCYCLOHEXANE cis-1,2-DIMETHYLCYCLOHEXANE trans-1,2-D1METHYLCYCLOHEXANE

cis-1,3-DIMETHYLCYCLOHEXANE trans-1,3-DIMETHYLCYCLOHEXANE cis-1,4-DIMETHYLCYCLOHEXANE

trans-1,4-DIMETHYLCYCLOHEXANE ETHYLCYCLOHEXANE 2-ETHYL-1-HEXENE

1-METHYL-1-ETHYLCYCLOPENTANE 1-OCTENE trans-2-OCTENE trans-3-OCTENE trans-4-OCTENE n-PROPYLCYCLOPENTANE 2,4,4-TRIMETHYL-l-PENTENE

---------------

-0.00542 -0.00753 -0.00858 -0.00739 -0.00924 -0.00886 0.01 544 -0.00712 -0.00815 -0.00947 0.00804 -0.00835 -0.00855 -0.01382 -0.00926 -0.00954 -0.00797 0.00375 - 0.00979 - 0.00870

3.4898E-05 3.9077E-09 3.8226E-05 1.5493E-08 4.4907E-05 6.3743E 09 4.0704E-05 8.9383E-09 4.5635E-05 6.5815E-09 5.6047E 05 1.0132E-08 6.7583E-05 1.1291E-08 4.5538E-05 3.9529E-08 4.3566E-05 2.0894E-08 5.3038E-05 2.0083E-08 4.5 774E 05 1.6365E-08 4.5361E-05 1.4871E-08 4.5799E-05 1.4900E-08 6.2711E-05 3.3082E-10 5.4095E-05 1.0583E-08 5.0738E-05 1.4864E-08 4.0572E-05 6.7289E-08 2.9995E-05 7.4603E-08 7.4087E-05 1.8418E-08 4.7349E-05 5.8829E-08

549 558 753 598 832 493 526 273 475 477 473 532 548 494 558 577 400 400 400 400

1000 1000 1000 1000 1000 ID00 1000 973 0.00997 1000 1000 1000 1000 1000 1000 1000 1000 825 825 825 825

-0.01 729 -0.00831 -0.01601 -0.01621 0.01 061 -0.01 062 -0.01043 -0.01142 0.01 074 -0.02003 -0.01014 -0.01 734 0.01 005 -0.02554 -0.02497 -0.01112 0.00165 -0.01848 -0.00710 -0.00826 -0.02802 -0.02680 0.02699 0.02736 -0.02652 0.02652 -0.02750 -0.01194 -0.02838 -0.02598 0.00463 -0.02481 - 0.02522 -0.02519 -0.01185 -0.02665

7.9086E-05 -3.9212E-11 5.0314E-05 1.5670E-08 7.3080E - 05 4.7158E-09 8.0847E-05 4.6664E-09 6.3622E-05 1.6317E-08 6.3888E-05 1.6071E-08 6.3338E-05 1.6044E-08 6.9766E-05 1.4701E-08 6.3474E-05 1.6542E-08 8.2062E-05 3.8364E-09 6.1355E-05 1.5104E-08 7.9239E- 05 5.31 5 1E-09 5.8755E-05 1.3434E-08 1.0401E-04 1.2248E-08 1.0672E-04 6.0506E-09 5.8457E-05 1.1846E-08 -7.1000E-06 8.6929E-08 8.7139E-05 6.5835E-09 4.5385E-05 9.0705E-09 5.1970E-05 9.8994E-09 1.1255E-04 1.1180E-08 1.0843E-04 1.0955E-08 1.1109E-04 1.0310E-08 1.1131E-04 1.1533E-08 1.0839E-04 1.1691E-08 1.0841E-04 1.1697E-08 1.1269E-04 1.0360E-08 6.6023E-05 4.1195E-08 1.2204E-04 1.8230E-09 1.1067E-04 1.0210E-08 2.8829E-05 8.4175E-08 1.0586E-04 2.9507E-09 1.0720E-04 2.5380E-09 1.0724E-04 2.6386E-09 6.7767E-05 3.5487E-08 1.1719E-04 -5.7671E-12

491 443 492 490 484 484 474 500 495 467 483 444 528 423 401 669 498 434 468 490 393 403 397 393 398 397 393 405 393 395 394 398 396 395 404 375

1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 998 1000 1000 1000 1000 1000 1000 1000 1000 995 1000 1000 500 1000 1000 1000 1000 1000

-

-

-__

-

-

-

-

-

-

___

-__

-- --

........................................................................................................

*

A computer program, c o n t a i n i n g c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal fee. The computer program i s i n A S C I I which can be accessed by other software.

372

NO

FORMULA

--- _--_-_--_ 58 C8H16 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76

77 78 79

80 81 82 83 84 85 86 87

88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125

C8H160 C8H160 C8H160 C8H1602 C8H1602 C8H1602 C8H1602 C8H1604 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H180 C8H180 C8H180 C8H180 C8H180 C8H180 C8H1802 C8H1802S C8H1803 C8H1803 C8H1804 C8H1805 C8H18S C8H18S C8H19N C8H19N C8H19N C8H23N5 C8H2404Si4 C9H405 C9H6N202 C9H7N C9H7N C9H7NO C9H8 C9H80 C9HlO C9H10 C9HlO C9H10 C9H10 C9H1002 C9H1002 C9H1003 C9HllNO C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12

-0.02613 1.1450E-04 0.00209 -9.5110E-06 0.00204 -8.8077E-06 0.00205 -9.0803E-06 -0.00805 5.3875E-05 0.001 90 -8.2258E-06 -0.01063 6.5754E-05 -0.00981 5.8314E-05 n-OCTANOIC A C I D DIETHYLENE GLYCOL ETHYL ETHER ACETATE -0.01399 6.7839E-05 2,2-DIMETHYLHEXANE 0.02694 1.1625E-04 2,3-DIMETHYLHEXANE -0.02737 1.1702E-04 2,4-DIMETHYLHEXANE -0.02625 1.1629E-04 2,s-DIMETHYLHEXANE -0 -02571 1.1255E-04 3,s-DIMETHYLHEXANE -0.02788 1.2026E-04 3,4-DIMETHYLHEXANE 0.02783 1.1807E-04 3-ETHYLHEXANE -0.02738 1.1743E-04 3-METHYL-3-ETHYLPENTANE -0.02632 1.1337E-04 2-METHYLHEPTANE -0.02706 1.1601E-04 3-METHYLHEPTANE -0.02729 1.1640E-04 4-METHYLHEPTANE -0.02760 1.1834E-04 -0.00213 1.8456E-05 n-OCTANE 2,2,3-TRIMETHYLPENTANE 0.01 237 7.2537E-05 2,2,4-TRIMETHYLPENTANE -0.00622 4.1978E-05 2,3,3-TRIMETHYLPENTANE -0.02800 1.1853E-04 2,3,4-TRIMETHYLPENTANE - 0 -02631 1.1542E-04 DI-n-BUTYL ETHER 0.00439 4.2683E-05 DI-sec-BUTYL ETHER 0.001 29 -7.8611E-06 DI-tert-BUTYL ETHER -0.01 061 6.8838E-05 2-ETHYL-1-HEXANOL 0.00206 -8.9440E-07 1-0CTANOL -0.00005 5.1932E-06 2-OCTANOL -0.01 093 6.6858E-05 DI-t-BUTYL PEROXIDE - 0 .O1004 6.7967E-05 DI-n-BUTYL SULFONE 0.01331 6.2631E-05 DIETHYLENE GLYCOL DIETHYL ETHER -0.00965 5.9025E-05 DIETHYLENE GLYCOL MONOBUTYL EHTER -0.00965 5.6473E- 05 0.001 89 -8.9510E-06 TRIETHYLENE GLYCOL DIMETHYL ETHER -0.01018 5.5741E-05 TETRAETHYLENE GLYCOL n-OCTYL MERCAPTAN 0.00576 4.7991E-05 tert-OCTYL MERCAPTAN DI-n-BUTYLAMINE -0.01218 7.1511E-05 -0.01 109 6.8773E-05 DIISOBUTYLAMINE n-OCTYLAMINE - 0 .DO877 5.9869E-05 TETRAETHYLENEPENTAMINE -0.01101 6.0553E-05 OCTAMETHYLCYCLOTETRASILOXANE -0.01415 6.7033E-05 -0.00903 4.8872E-05 TRIMELLITIC ANHYDRIDE -0.00663 4.0463E-05 TOLUENE DIISOCYANATE -0.01670 7.2615E-05 ISOQUINOLINE -0.01068 6.0360E-05 QUINOLINE 8-HYDROXYQUINOLINE -0 .DO821 5.0777E-05 INDENE - 0.00980 5.4597E 05 2-METHYLBENZOFURAN -0.00952 5.8741E-05 INOANE -0.02053 8.6309E-05 alpha-METHYLSTYRENE - 0.00992 5.5077E-05 m-METHYLSTYRENE - 0 A1828 8.0813E-05 0-METHYLSTYRENE - 0.01 876 8.3088E-05 p-METHYLSTYRENE - 0 -01006 5.7370E-05 BENZYL ACETATE -0.00855 4.9702E-05 ETHYL BENZOATE -0.00817 4.6374E-05 ETHYL VANILLIN - 0.00914 5.3952E-05 p-DIMETHYLAMINOBENZALDEHYDE - 0.01 078 5.4566E-05 CUMENE - 0 .DO803 4.2071E-05 m-ETHYLTOLUENE -0.00984 5.5910E-05 0-ETHYLTOLUENE -0.01 023 5.8520E-05 -0.00998 5.6322E-05 p-ETHYLTOLUENE - 0 A1943 8.3184E-05 MESITYLENE -0.02709 1.0607E 04 n-PROPYLBENZENE -0.02000 8.5193E-05 1,2,3-TRIMETHYLBENZENE -0.01052 5.8378E-05 1,2,4-TRIMETHYLBENZENE 2,4,4-TRIMETHYL-z-PENTENE

2-ETHYLHEXANAL 1-0CTANAL 2-OCTANONE n-BUTYL n-BUTYRATE n-HEXYL ACETATE ISOBUTYL ISOBUTYRATE

-

-

-

-

- -__

__-

-

-

9.0816E-10 1.2283E-07 1.1152E-07 1.1603E-07 1.0085E-08 1.0590E-07 2.1014E-08 1.3250E-08 2.5453E-09 7.4267E-09 5.5484E-09 5.4923E-09 7.2788E-09 5.8458E-09 5.3388E-09 3.1424E-09 1.2309E-08 2.3365E-09 2.9533E-09 1.8233E-09 9.4775E-08 3.9419E-08 7.7251E-08 1.0470E-08 9.2518E-09 3.841 5E-08 1.3732E-07 2.2520E-08 1.0488E-07 9.7714E-08 1.8531E-08 1.7277E-08 1.8296E-08 1.5504E-08 1.4669E-08 1.0149E-07 1.2880E-08 3.6269E-08

378 434 447 446 438 445 421 513 491 380 389 383 382 385 391 392 391 391 392 391 300 383 355 388 387 323 394 380 450 468 453 384 564 462 504 489 600 472

1000 1000 1000 1000 998 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 800 993

2.7791E-08 2.2919E-08 3.1692E-08 1.2889E-08 3.7115E-09 8.6629E-09 7.6806E-09 2.8204E-09 1.8156E-08 7.8718E-09 2.4290E-08 1.4022E-08 1.0067E-08 2.7139E-08 7.8454E-09 8.3762E-09 2.3743E-08 1.4755E-08 1.5547E-08 9.4382E-09 1.9441E-08 1.1791E-07 2.5606E-08 2.5095E-08 2.6487E-08 1.1735E-08 -2.0873E-09 1.1559E-08 2.8098E-08

432 412 453 606 448 663 523 516 511 540 456 471 451 439 445 443 446 487 487 567

1000 1000 700 1000 1000 1000 993 1000 1000 1000 996 1000 1000 999 1000 1000 1000 1000 1000 1000 1000 650 994 998 995 1000 1000 1000 1000

--_

580 1000 1000 995 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 990 1000

_- -_

588 400 434 438 435 438 432 449 443

........................................................................................................

*

A computer program, c o n t a i n i n g c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal fee. The computer program i s i n A S C I I which can be accessed by other software.

373

___ FORMULA _-_____-_

NO

126 C9H120 127 C9H120 128 C9H1202 129 C9H140 130 C9H1406 131 C9H1604 132 C9H18 133 C9H18 134 C9H18 135 C9H180 136 C9H180 137 C9H1802 138 C9H1802 139 C9H1802 140 C9H20 141 C9H20 142 C9H20 143 C9H20 144 C9H20 145 C9H20 146 C9H20 147 C9H20 148 C9H20 149 C9H20 150 C9H20 151 C9H20 152 C9H20 153 C9H20 154 C9H200 155 C9H200 156 C9H200 157 C9H20S 158 C9H21N 159 C9H21N 160 C10H608 161 ClOH7Br 162 C l O H 7 C l 163 C10H8 164 ClOH9N 165 ClOH10 166 C l O H l O 167 C l O H l O 168 C10H1004 169 C10H1004 170 C10H12 171 C10H12 172 C10H120 173 C10H1204 174 C10H14 175 C10H14 176 C10H14 177 ClOH14 178 C10H14 179 C10H14 180 C10H14 181 C10H14 182 C10H14 183 C10H14 184 C10H14 185 C10H14 186 C10H14 187 C10H14 188 C10H14 189 C10H14 190 C10H14 191 C10H14 192 C10H140 193 C10H1402

BENZYL ETHYL ETHER 2-PHENYL-2-PROPANOL CUMENE HYDROPEROXIDE ISOPHORONE GLYCERYL TRIACETATE AZELAIC A C I D ISOPROPYLCYCLOHEXANE 1-NONENE n-PROPYLCYCLOHEXANE DIISOBUTYL KETONE 1-NONANAL n-BUTYL VALERATE n-NONANOIC A C I D n-OCTYL FORMATE

3,3-D I ETHYLPENTANE 2,2-DIMETHYL-3-ETHYLPENTANE 2,4-DIMETHYL-3-ETHYLPENTANE 2,2-DIMETHYLHEPTANE 2,6-DIMETHYLHEPTANE 3-ETHYLHEPTANE 2-METHYLOCTANE 3-METHYLOCTANE 4-METHY LOCTANE n-NONANE 2,2,3,3-TETRAMETHYLPENTANE 2,2,3,4-TETRAMETHYLPENTANE 2,2,4,4-TETRAMETHYLPENTANE 2,2,5-TRIMETHYLHEXANE 2,6-DIMETHYL-4-HEPTANOL 1-NONANOL 2-NONANOL n-NONYL MERCAPTAN n-NONYLAMINE TRIPROPYLAMINE PYROMELLITIC A C I D 1-BROMONAPHTHALENE 1-CHLORONAPHTHALENE NAPHTHALENE QUINALDINE m-DIVINYLBENZENE 1-METHYLINDENE 2-METHYLINDENE DIMETHYL PHTHALATE DIMETHYL TEREPHTHALATE DICYCLOPENTADIENE

1,2,3,4-TETRAHYDRONAPHTHALENE ANETHOLE DIALLYL MALEATE n-BUTYLBENZENE sec-BUTYLBENZENE tert-BUTYLBENZENE m-CYMENE 0-CYMENE p-CYMENE

m-DIETHYLBENZENE 0-DIETHYLBENZENE p-DIETHYLBENZENE 2-ETHYL-m-XYLENE 2-ETHYL-p-XYLENE 3-ETHYL-0-XY LENE 4-ETHYL-m-XYLENE 4-ETHYL-0-XYLENE 5-ETHYL-m-XYLENE ISOBUTYLBENZENE

l12,3,5-TETRAMETHYLBENZENE 1,2,4,5-TETRAMETHYLBENZENE p-tert-BUTYLPHENOL p-tert-BUTYLCATECHOL

-

0.00114 -2.9858E 06 6.6643E-08 -0.01001 6.0550E-05 1.5573E-08

---

---

---

458 998 475 1000

-0.01114 0.0 1174 -0.00935 -0.02592 0.01 089 0.00575 0.0021 3 0.00198 0.00186 -0.00971 0.00189 0.01 277 -0.02651 -0.02585 -0.02574 -0.02543 -0.02608 -0.02750 -0.02782 -0.02793 -0.00655 -0.02921 0.02850 -0.02637 -0.01211 -0.01820 -0.01 187 -0.00147

6.0706E-05 5.8935E-05 5.3205E-05 1.0534E-04 6.381 3E 05 4.4891 E-05 -1.0359E-05 -9.0458E-06 -8.5085E-06 5.8249E-05 -8.7169E-06 7.2251E-05 1.1035E-04 1.0958E-04 1.1018E-04 1.0889E-04 1.1067E-04 1.1432E-04 1.1521E-04 1.1621E-04 3.2637E-05 1.1850E-04 1.1698E-04 1.1114E-04 6.9649E-05 8.5102E-05 6.7488E-05 8.6692E-06

2.4761E-08 -4.2145E-10 8.1020E-09 1.3165E-08 3.0482E-08 5.2081E-08 1.2639E 07 1.0749E-07 1.0316E-07 1.1540E-08 1.0248E-07 3.6371E-08 1.2089E-08 1.0014E-08 7.7586E-09 5.8666E-09 3.8539E-09 -1.2209E-10 -2.2227E-11 -4.2077E 10 7.7150E-08 1.0144E-08 8.0693E-09 1.1595E-08 3.7423E-08 3.7637E 09 2.2469E-08 1.0418E-07

488 532 633 428 400 430 441 468 460 529 472 419 407 410 406 408 416 416 417 416 449 413 406 395 397 451 486 472

1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 999 1000 1000 1000 1000 1000 1000 1000 1000 678 1000 1000 1000 997 1000 1000 1000

-0.00924 -0.02328 -0.00588 - 0.00686 -0.00786 -0.02306 -0.00929 0.00988 -0.01990 -0.02021 -0.00767 -0.00361

5.9820E-05 1.0622E-04 3.1496E-05 3.9597E-05 4.6122E-05 9.2610E-05 5.3175E-05 5.7353E-05 8.8360E-05 9.0063E-05 4.3884E - 05 3.5675E-05

2.8719E-08 1.3649E-08 4.4893E-09 8.4459E-09 1.0111E-08 4.4577E-10 1.4263E-08 1.8576E-08 2.4675E-09 3.1453E-09 9.6831 E-09 1.3239E-08

475 430 722 554 532 353 520 473 472 458 557 561

750 1000 1000 1000 1000 1259 1000 1000 1000 1000 1000 1000

5.0729E-05 2.3456E-08 5.5759E-05 1.5008E-08 5.3705E-05 5.7459E-09 8.8748E-05 7.1867E-09 6.0505E-05 2.6424E-08 6.2733E-05 2.6379E-08 6.0806E-05 2.7371E-08 5.9879E-05 2.7733E-08 6.7187E-05 1.3232E-08 8.6688E-05 8.0428E-09 6.0773E-05 2.4600E-08 5.9356E-05 2.5488E-08 6.3211E-05 2.4836E-08 6.0393E-05 2.5169E-08 8.2876E-05 8.75 74E 09 6.0066E-05 2.5338E-08 5.9922E-05 2.5219E-08 8.1961E-05 9.8622E-09 6.3606E-05 2.731 7E 08 5.8559E 05 2.6562E-08 4.7379E-06 9.8524E-08 5.9304E-05 1.4237E-08 5.7770E-05 1.0368E-08

481 508 520 456 446 442 448 451 450 454 457 457 463 460 467 462 463 457 446 471 470 513 558

991 1000 1000 996 996 992 998 991 1000 994 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000

-

-

-

-

-

___

-

-_-

- 0.00942 - 0.00963 - 0.00806

-0.02091 -0.01071 -0.01 094 -0.01 087 0.01 075 -0.01 029 -0.0201 7 0.01 075 -0.01 063 -0.011 19 0.01 078 -0.01 877 0.01 077 0.0 1076 -0.01925 -0.01 124 0.01 078 -0.00373 -0.01 007 -0.00974

-

-

-

-

-

---

__-

-

-

-

__-

---

-

-

-

-- --

__ _ _

-- --

........................................................................................................

*

A computer program, c o n t a i n i n g c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal fee. computer program i s i n A S C I I which can be accessed by other software.

374

The

(A,,

-

W/m K, T

-

- _ - - _ - - _ - - .-- - - - - - - - - - - _ - - _ - -

___

K)

A,=

- _25l_ C_ _ _ --------- ___-__-_______________________ - - _ - - _ -_ - - - - - _ - - - - - - - - - - - _ - - _ - _ _ - -__- - _ - _ _ -_& __----- - ---N,N-DIETYHLANILINE 194 CIOH15N -0.00972 5.8191E-05 1.3059E-08 509 1000 --195 C l O H l S N 2,6-DIETHYLANILINE -0.02672 1.0380E-04 8.2702E-09 434 1000 --196 C10H16 CAMPHENE -0.02197 9.3562E-05 7.4279E-09 450 1000 --D-LIMONENE 197 C10H16 ---0.02222 9.6145E-05 7.8464E-09 448 1000 alpha-PHELLANDRENE 198 C10H16 -0.02301 9.9718E-05 5.9927E-09 447 1000 --beta-PHELLANDRENE 199 C10H16 -0.02514 1.0151E-04 - 7.1878E-09 429 1000 --alpha-PINENE 200 C10H16 -0.02797 1.0908E-04 3.9401E-09 439 1000 --beta-PINENE 201 C10H16 -0.01190 7.0296E-05 2.3739E-08 450 1000 --alpha-TERPINENE 202 C10H16 gam-TERPINENE -0.01176 6.9037E-05 2.3256E - 08 456 1000 --203 C10H16 -0.02133 9.0600E-05 8.4117E-09 458 1000 TERPINOLENE 204 C10H16 ---0.02563 9.7273E-05 1.0104E-08 481 1000 205 C10H160 CAMPHOR ---0.00457 -1.5454E-05 2.9327E-07 469 1000 cis-DECAHYDRONANPHTALENE --206 C10H18 -0.00480 -1.2283E-05 2.7948E-07 460 1000 trans-DECAHYDRONAPHTHALENE --207 C10H18 -0.00925 5.2244E-05 7.9754E-09 642 1000 --208 C10H1804 SEBACIC A C I D -0.01194 6.4176E-05 3.3729E-08 454 1000 n-BUTYLCYCLOHEXANE --209 C10H20 -0.01118 6.2751E-05 2.8360E-08 444 1000 --210 C10H20 1-DECENE --0.00195 -9.2739E-06 1.0395E-07 488 1000 1-DECANAL 211 C10H200 -0.00965 5.5721E-05 1.2593E-08 543 1000 --212 C10H2002 n-DECANOIC A C I D -0.00816 4.9835E-05 1.2459E-08 472 1000 --213 C10H2002 2-ETHYLHEXYL ACETATE ---0.01063 6.4970E-05 1.6592E-08 467 1000 ISOPENTYL ISOVALERATE 214 C10H2002 -0.00113 8.1090E-06 9.6092E-08 470 700 --215 C10H22 n-DECANE -0.02572 1.0727E-04 5.6114E-09 430 1000 --216 C10H22 2,2-DIMETHYLOCTANE --217 C10H22 -0.02612 1.0783E-04 1.3143E-09 440 1000 2-METHYLNONANE ---0.02629 1.0816E-04 1.7111E-09 441 1000 218 ClOH22 3-METHYLNONANE -0.02649 1.0941E-04 1.2206E-09 439 1000 --219 C10H22 4-METHYLNONANE -0.02646 1.0917E-04 1.3130E-09 438 1000 5-METHYLNONANE --220 C10H22 --0.03262 -1.1884E-04 2.0994E-07 503 702 221 C10H220 1-DECANOL -0.01420 7.1760E-05 1.0355E-08 460 1000 --222 C10H220 DI-n-PENTYL ETHER -0.01047 6.1440E-05 1.6754E-08 493 1000 --223 C10H220 ISODECANOL --224 C10H2205 TETRAETHYLENE GLYCOL DIMETHYL ETHER -0.00913 5.3148E-05 1.1123E-08 549 1000 -0.01171 6.3915E-05 2.2689E-08 512 1000 --225 C10H22S n-DECYL MERCAPTAN -0.00917 5.8694E-05 2.6803E-08 494 750 --226 C10H23N n-DECYLAMINE --227 C I I H I O -0.01703 7.1429E-05 6.7407E-09 518 998 I-METHYLNAPHTHALENE ---0.01706 7.1614E-05 7.3389E - 09 514 994 228 C l l H l O 2-METHYLNAPHTHALENE 0.001 15 -4.3515E-06 229 C11H1402 n-BUTYL BENZOATE 6.2142E-08 523 1000 ---0.01096 6.0321E-05 2.4626E-08 479 1000 --n-PENTYLBENZENE 230 C l l H l 6 ---0.01008 5.7404E-05 1.4538E-08 535 1000 p-tert-AMYLPHENOL 231 C11H160 0.00187 -9.1216E-06 9.9909E-08 489 999 232 C11H2002 2-ETHYLHEXYL ACRYLATE ---0.02584 1.0261E-04 -2.1510E-10 1-UNDECENE 466 1000 --233 CllH22 0.00191 -9.3691E-06 1.0081E-07 506 1000 --1-UNDECANAL 234 CllH220 0.01364 -4.8303E-05 n-UNDECANE 1.4396E-07 470 800 235 C11H24 ---0.01150 6.4324E-05 1.9854E-08 516 1000 --1-UNDECANOL 236 CllH240 -0.00988 5.5448E-05 1.5534E-08 531 1000 UNDECYL MERCAPTAN --237 CllH24S -0.00911 4.9183E-05 1.4632E-08 558 1000 DIBENZOFURAN --238 C12H80 - 0.01 782 7.3507E - 05 2.4511E-09 628 1000 --239 C12H9N DIBENZOPYRROLE -0.00954 5.0025E-05 1.7866E-08 551 1000 --240 C12H10 ACENAPHTHENE -0.00788 4.2910E-05 3.4569E-08 373 1000 BIPHENYL --241 C12H10 --242 C12H100 -0.00885 5.1306E-05 1.2076E-08 531 1000 OIPHENYL ETHER -0.00918 5.2745E-05 1.0297E-08 575 1000 243 Cl2HllN p-AMINODIPHENYL --DIPHENYLAMINE -0.00972 5.4414E-05 1.2286E-08 575 1000 --244 Cl2HllN -0.00975 5.4448E-05 9.3225E-09 633 1000 245 C12H11N3 p-AMINOAZOBENZENE --1,3-DIPHENYLTRIAZENE -0.00903 5.2512E-05 7.9461E-09 610 1000 --246 C12HllN3 -0.01677 7.1801E-05 9.5201E-09 535 1000 --247 C12H12 2,6-DIMETHYLNAPHTHALENE 2,7-DIMETHYLNAPHTHALENE -0.01682 7.1879E-05 9.4156E-09 536 1000 --248 C12H12 -0.01007 5.3746E-05 1.9325E-08 531 1000 249 C12H12 I-ETHYLNAPHTHALENE ---0.01522 6.6481E-05 5.2547E-10 627 1000 --250 C12H12N2 p-AMINODIPHENYLAMINE -0.00927 5.3347E-05 1.0456E-08 573 1000 251 C12H12N2 HYDRAZOBENZENE ---0.01086 6.1319E-05 1.8696E-08 509 1000 --252 C12H14 1,2,3-TRIMETHYLINDENE -0.00863 4.7444E-05 1.2248E-08 567 1000 --253 C12H1404 DIETHYL PHTHALATE -0.01111 5.6012E-05 2.9171E-08 513 1000 --CYCLOHEXYLBENZENE 254 C12H16 -0.02095 8.8293E-05 6.1091E-09 476 1000 m-DIISOPROPYLBENZENE --255 C12H18 -0.02100 8.8014E-05 5.8660E-09 484 1000 --256 C12H18 p-DIISOPROPYLBENZENE -0.02036 8.4338E-05 6.6954E-09 499 1000 --257 C12H18 n-HEXYLBENZENE -0.00826 4.7750E-05 1.0165E-08 553 1000 --258 C12H2004 DIBUTYL MALEATE ---0.01229 6.0636E-05 3.6019E-08 512 992 BICYCLOHEXYL 259 C12H22 -0.01184 6.1839E-05 2.5082E-08 529 1000 --DICYCLOHEXYLAMINE 260 C12H23N -0.02600 1.0107E-04 -1.0231E-09 487 1000 1-OOOECENE 261 C12H24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . --.. NO

FORMULA

A

NAME

B

C

T M I N TMAX

* A computer program, c o n t a i n i n g c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal fee. The computer program i s i n A S C I I which can be accessed by o t h e r software. 375

A,, = A + B T + C T2 (AQ- - U/m K, T - K ) ________--_--__-________________________----------

___

NO

A,FORMULA

NAME

_ _ _ - _ _ - _._. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A

B

C

T M I N TMAX

iil 25 C

_ _ _ _ - - _ _ - _ _ - _ _ - ___- - _ - - _ - - _- _ - - - - _ _ _ _ - _ _ - _

--------------------- - __ ___ -0.00905 5.6320E-05 2.3942E-08 532 750 ---0.01351 7.4453E-05 2.9099E-08 487 997 ---0.00904 5.6671E-05 6.6790E-09 570 1000 ---0.00813 4.3772E-05 1.1875E-08 579 1000 ---0.01004 5.3011E-05 1.9575E-08 537 1000 ---0.01079 5.7422E-05 2.2320E-08 519 1000 ---0.02607 9.9453E-05 -1.5725E-09 506 1000 --0.00184 -9.4112E-06 9.4178E-08 540 1000 --0.00202 -1.0410E-05 1.0444E-07 503 1000 ---0.00914 5.1369E-05 1.3643E-08 540 1000 ---0.00784 2.7116E-05 7.0226E-08 509 1000 ---0.00098 5.3568E-06 8.6625E-08 547 1000 ---0.01018 5.3038E-05 1.2081E-08 653 1000 ---0.00508 3.4417E-05 2.3646E-08 489 615 ---0.00913 4.8508E-05 1.4880E-08 573 993 ---0.00923 4.7388E-05 1.3940E-08 613 1000 ---0.00981 5.1510E-05 1.9775E-08 535 1000 ---0.00980 5.1139E-05 1.6241E-08 580 1000 ---0.00798 4.2392E-05 1.1341E-08 597 1000 ---0.02834 9.7961E-05 -7.5061E-09 546 1000 ---0.01012 5.2760E-05 1.9062E-08 554 1000 ---0.00858 4.5472E-05 1.5047E-08 561 991 ---0.01718 7.2875E-05 9.1628E-09 563 1000 ---0.01078 5.6575E-05 2.1438E-08 538 1000 ---0.01018 5.8348E-05 1.2288E-08 564 1000 ---0.02610 9.7799E-05 -2.0865E-09 524 1000 ---0.00936 5.0289E-05 1.2546E-08 599 1000 ---0.00180 1.0242E-05 7.7727E-08 527 1000 ---0.00003 2.4670E-06 7.6134E-08 560 1000 ---0.01117 6.0842E-05 1.7026E-08 564 994 ---0.00684 3.8456E-05 7.1593E-09 609 1000 ---0.01833 7.2980E-05 -3.4325E-09 608 1000 ---0.00886 5.0729E-05 7.4757E-09 634 1000 ---0.01084 5.6173E-05 2.0794E-08 555 1000 ---0.01633 7.1176E-05 -1.4771E-09 538 1000 ---0.00932 5.1812E-05 1.1798E-08 581 1000 ---0.02698 1.0116E-04 -7.5469E-09 542 1000 ---0.00927 4.9669E-05 1.1808E-08 612 1000 ---0.00723 2.3158E-05 6.7125E-08 544 1000 ---0.00899 4.6986E-05 1.0387E-08 656 1000 -----0.00860 4.3319E-05 1.1141E-08 668 998 ---0.00955 4.9187E-05 1.4702E-08 607 1000 -0.01676 7.0285E-05 8.6552E-09 595 1000 ---0.00911 4.8916E-05 1.1470E-08 613 1000 ---0.01081 5.5409E-05 2.0073E-08 571 1000 -----0.01164 5.8255E-05 2.3755E-08 571 1000 -0.01088 5.5158E-05 2.2391E-08 558 1000 -----0.00934 4.9840E-05 1.1461E-08 624 1000 -0.00671 2.0080E-05 6.7235E-08 560 1000 ---0.00945 5.1927E-05 1.3988E-08 560 1000 --0.00001 2.1149E-06 8.0125E-08 585 1000 -----0.01083 5.5002E-05 1.9427E-08 586 1000 ---0.01081 5.6622E-05 1.8218E-08 573 1000 0.00124 -6.3091E-06 8.1047E-08 575 1000 -----0.00006 2.1078E-06 7.7468E-08 597 1000 ---0.00870 4.3518E-05 9.6092E-09 714 994 -0.00741 4.0043E-05 8.0074E-09 638 1000 -----0.00715 3.9304E-05 8.4426E-09 605 1000 -0.00748 4.0276E-05 7.8174E-09 649 1000 -----0.00570 4.3077E-05 2.4635E-08 650 1000 ________________________________________----------------------------------------------------------------

262 C12H240 1-DODECANAL 263 C12H2402 n-DODECANOIC A C I D 264 C12H26 n-DODECANE 265 C12H260 DI-n-HEXYL ETHER 266 C12H260 1-DODECANOL 267 C12H2603 DIETHYLENE GLYCOL DI-n-BUTYL ETHER 268 C12H26S n-DODECYL MERCAPTAN 269 C12H27B03 TRI-n-BUTYL BORATE 270 C12H27N DODECYLAMINE 271 C12H27N TRI-n-BUTYLAMINE 272 C13H10 FLUORENE 273 C13H100 BENZOPHENONE 274 C13H12 DIPHENYLMETHANE 275 C13H20 n-HEPTYLBENZENE 276 C13H26 1-TRIDECENE 277 C13H260 1-TRIDECANAL 278 C13H2602 n-BUTYL NONANOATE 279 C13H2602 METHYL DODECANOATE 280 C13H28 n-TRIDECANE 281 C13H280 1-TRIDECANOL 282 C14H802 ANTHRAQUINONE 283 C14H10 ANTHRACENE 284 C14H10 DIPHENYLACETYLENE PHENANTHRENE 285 C14H10 286 C14H12 cis-STILBENE 287 C14H12 trans-STILBENE 288 C14H1202 BENZYL BENZOATE 289 C14H14 1,l-DIPHENYLETHANE 290 C14H14 1,2-DIPHENYLETHANE 291 C14H140 DIBENZYL ETHER 292 C14H16 1-n-BUTYLNAPHTHALENE 293 C14H22 n-OCTYLBENZENE 294 C14H220 p-tert-OCTYLPHENOL 295 C14H28 1-TETRADECENE 296 C14H2802 n-TETRADECANOIC A C I D 297 C14H30 n-TETRADECANE 298 C14H300 1-TETRADECANOL 299 C14H31N TETRADECYLAMINE 300 C15HlON202 DIPHENYLMETHANE-4,4’-DIISOCYANATE 301 C15H160 p-CUMYLPHENOL 302 C15H1602 BISPHENOL A 303 C15H24 n-NONYLBENZENE 304 C15H240 2,6-DI-tert-BUTYL-p-CRESOL 305 C15H240 NONYLPHENOL I-PENTADECENE 306 C15H30 307 C15H3002 PENTADECANOIC A C I D 308 C15H32 n-PENTADECANE 309 C16H10 FLUORANTHENE 310 C16H10 PYRENE 311 C16H12 1-PHENYLNAPHTHALENE 312 Cl6H20 1-n-HEXYLNAPHTHALENE 313 C16H2204 DIBUTYL PHTHALATE 314 C16H26 n-DECYLBENZENE 315 C16H32 n-DECYLCYCLOHEXANE 316 C16H32 1-HEXADECENE 317 C16H3202 n-HEXADECANOIC A C I D 318 C16H34 n-HEXADECANE 319 C16H340 DI-n-OCTYL ETHER 320 Cl6H340 1-HEXADECANOL 321 C17H28 n-UNDECYLBENZENE 322 C17H34 1-HEPTADECENE 323 C17H36 n-HEPTADECANE 324 C17H360 1-HEPTADECANOL 325 C18H12 CHRYSENE 326 C18H14 m-TERPHENYL 327 C18H14 0-TERPHENYL 328 C18H14 p-TERPHENYL 329 C18H15P TRIPHENYLPHOSPHINE

0.00187 -9.4540E-06 -0.00951 5.2199E-05 -0.00812 2.9150E-05 -0.00942 5.7682E-05 -0.01135 6.3614E-05 -0.00930 5.3413E-05 -0.00575 4.4400E-05

*

9.7853E-08 1.3328E-08 7.2085E-08 1.2128E-08 1.7549E-08 1.3380E-08 3.2638E-08

523 572 489 499 535 529 548

1000 1000 1000 1000 1000 1000 1000

A computer program, c o n t a i n i n g c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal fee. The computer program i s i n A S C I I which can be accessed by other software.

376

330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363

C18H1504P C18Hl6N2 C18H22 C18H2202 C18H30 C18H3202 C18H3402 C18H3404 C18H3404 C18H36 C18H3602 C18H38 C18H380 C18H380 C19H26 C19H32 C19H3602 C19H38 C19H3802 C19H40 C20H16 C20H28 C20H3002 C20H31N C2OH40 C20H42 C20H420 C21H2104P C22H4402 C24H3804 C24H3804 C24H420 C26H2O C28H4604

2,3-DIMETHYL-2,3-DIPHENYLBUTANE DICUMYL PEROXIDE n-DOOECYLBENZENE LINOLEIC A C I D OLEIC A C I D DIBUTYL SEBACATE DIHEXYL ADIPATE 1-OCTADECENE STEARIC A C I D n-OCTADECANE DINONYL ETHER

1-OCTADECANOL I-n-NONYLNAPHTHALENE n-TRIDECYLBENZENE METHYL OLEATE I-NONADECENE NONADECANOIC A C I D n-NONADECANE

TRIPHENYLETHYLENE 1-n-DECYLNAPHTHALENE ABIETIC A C I D DEHYDROABIETYLAMINE 1-EICOSENE n-EICOSANE

I-EICOSANOL TRI-0-CRESYL PHOSPHATE n-BUTYL STEARATE DIISOOCTYL PHTHALATE DIOCTYL PHTHALATE DINONYLPHENOL TETRAPHENYLETHYLENE DIISODECYL PHTHALATE

---

---

TRIPHENYL PHOSPHATE N,N'-DIPHENYL-p-PHENYLENEDIAMINE

-0.00882 4.7619E-05 -0.01 060 5.4719E-05

-_-

-0.01081 -0.00938 -0.0091 7 -0.00826 -0.00727 0.01 079 -0.00916 -0.001 72 -0.00933 0.01 063 -0.00998 -0.01 882 -0.00860 -0.01 069 -0.00909 0.00153 -0.00930 -0.00994 -0.00981 -0.00001 -0.01 067 0.001 54 0.00006

-

--_

-0.00719 - 0.00777 0.00575 -0.01218 - 0.00895 0.00746

-

_-_ 7.571 8E-09 1.7566E-08

---

_-

__

688 1000 589 1000

--

--

2.1190E-08 9.9426E-09 1.1022E-08 8.7811E-09 7.9202E-09 2.1104E-08 9.8658E-09 7.2881E-08 1.2875E-08 1.4819E-08 1.5845E-08 5.9657E -09 1.0352E-08 1.8616E-08 9.8948E-09 7.4184E-08 1.2116E-08 1.5353E-08 1.1691E-08 -6.1569E-11 2.0085E-08 7.0837E-08 7.0530E-08

600 628 633 622 621 588 648 590 591 608 639 614 617 602 659 603 669 652 650 660 616 617 629

1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000

4.0258E-05 7.1090E-09 4.0239E-05 7.8945E-09 6.5471E-05 -7.3091E-09 5.3914E-05 3.2714E-09 4.3161E-05 9.4152E-09 3.8410E-05 6.8581E-09

623 694 657 722 760 723

1000 1000 1000 1000 1000 1000

_--

5.2783E-05 5.1481E-05 4.8698E-05 4.5607E-05 3.9979E-05 5.3470E-05 4.9075E-05 6.6775E-07 5.0232E-05 5.5997E-05 4.9182E-05 7.4211E-05 4.6444E-05 5.3678E-05 4.8001E-05 7.5609E- 06 4.6613E-05 4.8645E-05 5.1249E-05 8.9713E-07 5.1723E-05 -7.5268E-06 1.4370E-06

-

___

___

-_ _-

. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .-. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * A computer program, c o n t a i n i n g c o e f f i c i e n t s f o r a l l compounds, i s a v a i l a b l e f o r a nominal fee. The computer program i s i n A S C I I which can be accessed by other software.

377

Appendix C DATA

CODE FOR

COMPOUNDS

--- FORMULA ---------

NO

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67

C8H4Cl202 C8H403 C8H604 C8H604 C8H604 C8H6S C8H7N C8H8 C8H80 C8H80 C8H802 C8H802 C8H802 C8H803 C8H803 C8H9NO C8H10 C8H10 C8H10 C8H10 C8H100 C8H100 C8H100 C8H100 C8H100 C8H100 C8H100 C8H100 C8H100 C8H100 C8H11N C8H11N C8H11N C8H11NO C8H12 C8H12 C8H1204 C8H1204 C8H1402 C8H1403 C8H1404 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H160 C8H160 C8H160 C8H1602 C8H1602 C8H1602 C8H1602 C8H1604 C8H18

GAS THERMAL COND.

-----------------

ISOPHTHALOYL CHLORIDE PHTHALIC ANHYDRIDE ISOPHTHALIC A C I D

estimate es t imat e

estimate es t imat e es t imat e estimate es t imat e es t imat e es t imat e estimate estimate estimate es t imat e experimental/estimate exper imenta l / e s t imat e experimental/estimate experiment a 1/es t imat e

estimate estimate estimate estimate estimate estimate estimate experimental estimate estimate estimate estimate estimate estimate estimate estimate experimental experimental exper imenta 1 experimental

es t imat e experimental/estimate estimate es t imat e es t imat e estimate es t imat e es t imat e estimate experimental/estimate N,N-DIMETHYLANILINE 0-ETHYLANILINE estimate estimate 2,4,6-TRIMETHYLPYRIDINE estimate p-PHENETIDINE estimate lI5-CYCLOOCTADIENE es t imat e VINYLCYCLOHEXENE lI4-CYCLOHEXANEDICARBOXYLIC A C I D es t imat e DIETHYL MALEATE estimate n-BUTYL METHACRYLATE es t imat e BUTYRIC ANHYDRIDE es t imat e DIETHYL SUCCINATE estimate 1,l-DIMETHYLCYCLOHEXANE es t imat e cis-ll2-D1METHYLCYCLOHEXANE estimate trans-1,2-DIMETHYLCYCLOHEXANE es t imat e cis-1,3-DIMETHYLCYCLOHEXANE es t imat e estimate trans-1,3-DIMETHYLCYCLOHEXANE estimate cis-1,4-DIMETHYLCYCLDHEXANE estimate trans-1,4-DIMETHYLCYCLOHEXANE estimate ETHYLCYCLOHEXANE estimate 2-ETHYL-1-HEXENE estimate 1-METHYL-1-ETHYLCYCLOPENTANE experimental/estimate 1-OCTENE estimate trans-2-OCTENE trans-3-OCTENE estimate estimate trans-4-OCTENE estimate n-PROPYLCYCLOPENTANE estimate 2,4,4-TRIMETHYL-l-PENTENE estimate 2,4,4-TRIMETHYL-2-PENTENE es t imat e 2-ETHYLHEXANAL 1-0CTANAL estimate es t imat e 2-OCTANONE n-BUTYL n-BUTYRATE es t imat e n-HEXYL ACETATE exper imenta l / e s t imate es t imat e ISOBUTYL ISOBUTYRATE estimate n-OCTANOIC ACID DIETHYLENE GLYCOL ETHYL ETHER ACETATEestimate 2,2-DIMETHYLHEXANE estimate

estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate es t imat e estimate experimental estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate es t imat e

---

--_

___

PHTHALIC ACID

TEREPHTHALIC A C I D BENZOTHIOPHENE INDOLE STYRENE ACETOPHENONE

p-TOLUALDEHYDE METHYL BENZOATE 0-TOLUIC ACID p-TOLUIC ACID METHYL SALICYLATE VAN ILL IN ACETANILIDE

ETHYLBENZENE m-XYLENE 0-XYLENE p-XYLENE m-ETHYLPHENOL

---

p-ETHYLPHENOL PHENETOLE 2-PHENYLETHANOL 2,3-XYLENOL 2,4-XYLENOL 2,s-XYLENOL 2,6-XYLENOL 3,4-XYLENOL 3,s-XYLENOL

378

---

GAS THERMAL COND.

_ - _ FORMULA -__-_----

NO

68 69 70 71 72

73 74 75 76 77 78 79 80

81 82 83 84

85 86 87

88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117

118 119 120 121 122 123 124 125 126 127

128 129 130 131 132 133 134 135 136 137 138 139 140 141 142

C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H180 C8H180 C8H180 C8H180 C8H180 C8H180 C8H1802 C8H1802S C8H1803 C8H1803 C8H1804 C8H1805 C8H18S C8H18S C8H19N C8H19N C8H19N C8H23N5 C8H2404Si4 C9H405 C9H6N202 C9H7N C9H7N C9H7NO C9H8 C9H80 C9H10 C9H10 C9H10 C9H10 C9HlO C9H1002 C9H1002 C9H1003 C9HllNO C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H120 C9H120 C9H1202 C9H140 C9H1406 C9H1604 C9H18 C9H18 C9H18 C9H180 C9H180 C9H1802 C9H1802 C9H1802 C9H20 C9H20 C9H20

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2,3-DIMETHYLHEXANE 2,4-DIMETHYLHEXANE 2,5-DIMETHYLHEXANE 3,3-DIMETHYLHEXANE 3,4-DIMETHYLHEXANE 3-ETHYLHEXANE 3-METHYL-3-ETHYLPENTANE 2-METHYLHEPTANE 3-METHYLHEPTANE 4-METHYLHEPTANE n-OCTANE 2,2,3-TRIMETHYLPENTANE 2,2,4-TRIMETHYLPENTANE 2,3,3-TRIMETHYLPENTANE 2,3,4-TRIMETHYLPENTANE DI-n-BUTYL ETHER DI-sec-BUTYL ETHER DI-tert-BUTYL ETHER 2-ETHYL-1-HEXANOL 1-0CTANOL 2-OCTANOL DI-t-BUTYL PEROXIDE DI-n-BUTYL SULFONE DIETHYLENE GLYCOL DIETHYL ETHER DIETHYLENE GLYCOL MONOBUTYL EHTER TRIETHYLENE GLYCOL DIMETHYL ETHER TETRAETHYLENE GLYCOL n-OCTYL MERCAPTAN tert-OCTYL MERCAPTAN DI-n-BUTYLAMINE DIISOBUTYLAMINE n-OCTYLAMINE TETRAETHYLENEPENTAMINE

OCTAMETHYLCYCLOTETRASILOXANE T R I M E L L I T I C ANHYDRIDE TOLUENE DIISOCYANATE ISOQUINOLINE QUINOL I NE 8-HYDROXYQUINOLINE INDENE 2-METHYLBENZOFURAN I NDANE alpha-METHYLSTYRENE m-METHYLSTYRENE O-METHYLSTYRENE

p-METHYLSTYRENE BENZYL ACETATE ETHYL BENZOATE ETHYL VANILLIN p-DIMETHYLAMINOBENZALDEHYDE CUMENE m-ETHYLTOLUENE O-ETHYLTOLUENE p-ETHYLTOLUENE MESITYLENE n-PROPYLBENZENE

1,2,3-TRIMETHYLBENZENE 1,2,4-TRIMETHYLBENZENE BENZYL ETHYL ETHER 2-PHENYL-2-PROPANOL CUMENE HYDROPEROXIDE ISOPHORONE GLYCERYL TRIACETATE

AZELAIC A C I D ISOPROPYLCYCLOHEXANE 1-NONENE n-PROPYLCYCLOHEXANE DIISOBUTYL KETONE 1-NONANAL n-BUTYL VALERATE n-NONANOIC A C I D n-OCTYL FORMATE 3,s-DIETHYLPENTANE 2,2-DIMETHYL-3-ETHYLPENTANE 2.4-DIMETHYL-3-ETHYLPENTANE

379

estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate experimental/estimate es t imat e experimental/estimate es t imat e estimate experimental/estimate es t imat e estimate es t imat e experimental/estimate experimental/estimate estimate es t imat e experimental/estimate experimental/estimate experimental/estimate estimate est imat e est imat e experimental/estimate est imat e experimental/estimate estimate estimate est imat e es t imat e es t imat e experimental/estimate estimate es t imat e es t imat e estimate estimate es t imate est imat e estimate estimate es t imat e es t imat e es t imat e exper imenta l / e s t imate es t imat e estimate estimate experimental/estimate experimental/estimate es t imat e experimental/estimate estimate es t imat e es t imat e es t imat e estimate estimate es t imat e experimental/estimate estimate es t imat e experimental/estimate estimate exper imenta l / e s t imate experimental/estimate es t imat e estimate estimate

estimate estimate estimate estimate estimate estimate es t imat e es t imat e es t imat e estimate exper iment a 1 estimate experimental es t imat e estimate estimate estimate estimate es t imat e estimate estimate estimate estimate es t i mat e es t imat e estimate estimate estimate

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estimate estimate estimate estimate estimate es t imat e es t imat e estimate estimate estimate es t imat e estimate es t imat e estimate estimate es t imat e estimate estimate est imate estimate estimate experimental estimate estimate estimate es t imat e estimate es t imat e es t imate estimate estimate

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estimate estimate es t i mat e estimate estimate es t imat e estimate es t imat e estimate estimate estimate estimate es t imate es t i mate

___

GAS THERMAL COND.

NO FORMULA

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143 C9H20 144 C9H20 145 C9H20 146 C9H2O 147 C9H20 148 C9H20 149 C9H20 150 C9H20 151 C9H20 152 C9H20 153 C9H20 154 C9H200 155 C9H200 156 C9H200 157 C9H20S 158 C9H21N 159 C9H21N 160 C10H608 161 ClOH7Br 162 ClOH7Cl 163 C10H8 164 ClOH9N 165 ClOHlO 166 CIOHIO 167 CIOHIO 168 C10H1004 169 C10H1004 170 C10H12 171 C10H12 172 C10H120 173 C10H1204 174 C10H14 175 C10H14 176 C10H14 177 C10H14 178 C10H14 179 C10H14 180 C10H14 181 C10H14 182 C10H14 183 C10H14 184 C10H14 185 C10H14 186 C10H14 187 C10H14 188 C10H14 189 C10H14 190 C10H14 191 C10H14 192 C10H140 193 C10H1402 194 CIOH15N 195 CIOH15N 196 C10H16 197 C10H16 198 C10H16 199 C10H16 200 C10H16 201 C10H16 202 ClOH16 203 ClOH16 204 C10H16 205 C10H160 206 C10H18 207 C10H18 208 C10H1804 209 C10H20 210 C10H20 211 C10H200 212 C10H2002 213 C10H2002 214 C10H2002 215 C10H22 216 C10H22 217 C10H22

2,2-DIMETHYLHEPTANE 2,6-DIMETHYLHEPTANE 3-ETHYLHEPTANE 2-METHYLOCTANE 3-METHYLOCTANE 4-METHYLOCTANE n-NONANE 2,2,3,3-TETRAMETHYLPENTANE 2,2,3,4-TETRAMETHYLPENTANE 2,2,4,4-TETRAMETHYLPENTANE

2,2,5-TRIMETHYLHEXANE 2,6-DIMETHYL-4-HEPTANOL 1 -NONANOL 2-NONANOL n-NONYL MERCAPTAN n-NONYLAMINE TRIPROPYLAMINE PYROMELLITIC ACID 1-BROMONAPHTHALENE 1-CHLORONAPHTHALENE NAPHTHALENE QUINALDINE m-DIVINYLBENZENE 1-METHYLINDENE 2-METHYLINDENE DIMETHYL PHTHALATE DIMETHYL TEREPHTHALATE DICYCLOPENTADIENE 1,2,3,4-TETRAHYDRONAPHTHALENE

ANETHOLE DIALLYL MALEATE n-BUTYLBENZENE sec-BUTYLBENZENE tert-BUTYLBENZENE m-CYMENE 0-CYMENE p-CYMENE m-DIETHYLBENZENE 0-DIETHYLBENZENE p-DIETHYLBENZENE 2-ETHYL-m-XYLENE 2-ETHYL-p-XYLENE 3-ETHYL-0-XYLENE 4-ETHYL-m-XYLENE 4-ETHYL-0-XYLENE 5-ETHYL-m-XYLENE ISOBUTYLBENZENE 1,2,3,5-TETRAMETHYLBENZENE 1,2,4,5-TETRAMETHYLBENZENE p-tert-BUTYLPHENOL p-tert-BUTYLCATECHOL N,N-DIETYHLANILINE 2,6-DIETHYLANILINE CAMPH EN E D-LIMONENE alpha-PHELLANDRENE beta-PHELLANDRENE alpha-PINENE beta-PINENE alpha-TERPINENE gamna-TERPINENE TERPINOLENE CAMPHOR cis-DECAHYDRONANPHTALENE trans-OECAHYDRONAPHTHALENE

SEBACIC ACID n-BUTYLCYCLOHEXANE 1-DECENE 1 -DECANAL n-DECANOIC ACID 2-ETHYLHEXYL ACETATE ISOPENTYL ISOVALERATE n-DECANE 2,2-DIMETHYLOCTANE 2-METHYLNONANE

es t i ma te es t ima te estimate estimate es t ima t e es t i ma te experimental/estimate estimate est i ma te est i mat e experimental/estimate est i ma t e experimental/estimate estimate es t ima t e experiment a l/est i mate experimental/estimate estimate estimate estimate experimental/estimate es t ima t e est i ma te es t ima t e estimate experimental/estimate estimate estimate experimental/estimate

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es t ima t e experiment a 1/estimate estimate experimental/estimate est i ma t e es t ima t e est i ma te es t ima t e estimate estimate estimate estimate estimate est i ma t e estimate est i ma te est imat e estimate exper imenta l/es t ima t e estimate estimate exper imenta l/es t ima te estimate est i ma t e estimate est i ma te estimate es t i ma te es t i ma te estimate estimate estimate es t i ma te exper i menta l/es t i ma te exper i ment a 1/es t i ma t e est i ma t e estimate experiment a 1/es t ima te experimental/estimate experimental/est imate estimate estimate experimental/estimate estimate est i ma te

est i ma te estimate estimate estimate est i ma te est i ma te experimental est imate estimate estimate estimate estimate estimate estimate

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estimate estimate estimate es t ima te estimate experimental estimate estimate estimate es t ima te estimate estimate

__-

estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate estimate est i ma te estimate estimate estimate est i ma te estimate estimate estimate

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estimate est i ma te estimate est i ma te estimate estimate estimate estimate estimate estimate est i ma te estimate est i ma te estimate estimate estimate est i ma te est i ma te estimate estimate experimental estimate estimate

--- FORMULA __-----__

GAS THERMAL COND.

NO

218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292

C10H22 C10H22 C10H22 ClDH220 C10H220 C10H220 C10H2205 C10H22S C10H23N CllH10 CllHlD C11H1402 CllH16 CllHl60 C11H2002 CllH22 C11H220 CllH24 CllH240 C11H24S C12H80 C12H9N C12H10 C12H10 Cl2HlOO C12HllN Cl2HllN C12H11N3 C12HllN3 C12H12 C12H12 C12H12 C12H12N2 C12H12N2 C12H14 C12H1404 C12H16 C12H18 C12H18 C12H18 C12H2004 C12H22 C12H23N C12H24 C12H240 C12H2402 C12H26 C12H260 C12H260 C12H2603 C12H26S C12H27B03 C12H27N C12H27N C13H10 C13H100 C13H12 C13H20 C13H26 C13H260 C13H2602 C13H2602 C13H28 C13H280 C14H802 C14H10 C14H10 C14H10 C14H12 C14H12 C14H1202 C14H14 C14H14 C14H140 C14H16

3-METHYLNONANE 4-METHYLNONANE 5-METHYLNONANE 1-DECANOL DI-n-PENTYL ETHER ISODECANOL TETRAETHYLENE GLYCOL DIMETHYL ETHER n-DECYL MERCAPTAN n-DECYLAMINE 1-METHYLNAPHTHALENE 2-METHYLNAPHTHALENE n-BUTYL BENZOATE n-PENTYLBENZENE p-tert-AMYLPHENOL 2-ETHYLHEXYL ACRYLATE 1-UNDECENE 1-UNDECANAL n-UNDECANE 1-UNDECANOL UNDECYL MERCAPTAN DIBENZOFURAN DIBENZOPYRROLE ACENAPHTHENE BIPHENYL OIPHENYL ETHER p-AMINOOIPHENYL DIPHENYLAMINE p-AMINOAZOBENZENE 1,3-DIPHENYLTRIAZENE 2,6-DIMETHYLNAPHTHALENE 2,7-DIMETHYLNAPHTHALENE 1-ETHYLNAPHTHALENE p-AMINODIPHENYLAMINE HYORAZOBENZENE 1,2,3-TRIMETHYLINDENE DIETHYL PHTHALATE CYCLOHEXYLBENZENE m-DIISOPROPYLBENZENE

p-DIISOPROPYLBENZENE n-HEXYLBENZENE DIBUTYL MALEATE BICYCLOHEXYL DICYCLOHEXYLAMINE 1-DODECENE 1-DODECANAL n-DODECANOIC A C I D n-DODECANE D I - n - H E X Y L ETHER 1-DODECANOL DIETHYLENE GLYCOL DI-n-BUTYL ETHER n-DODECYL MERCAPTAN TRI-n-BUTYL BORATE DODECYLAMINE TRI-n-BUTYLAMINE FLUORENE BENZOPHENONE

DIPHENYLMETHANE n-HEPTYLBENZENE 1-TRIDECENE 1-TRIDECANAL n-BUTYL NONANOATE METHYL DODECANOATE n-TRIDECANE 1-TRIDECANOL ANTHRAQUINONE ANTHRACENE DIPHENYLACETYLENE PHENANTHRENE c i s-ST ILBENE trans-STILBENE BENZYL BENZOATE 1,l-DIPHENYLETHANE 1,2-DIPHENYLETHANE DIBENZYL ETHER 1-n-BUTYLNAPHTHALENE

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estimate estimate estimate experimental/estimate es t imat e estimate es t imat e est imat e experimental/estimate estimate es t imat e estimate estimate est imat e est imat e experimental/estimate estimate experimental/estimate estimate est imat e estimate estimate experimental/estimate experimental/estimate experimental/estimate estimate estimate estimate es t imat e es t imat e estimate est imat e es t imat e es t imat e experimental/estimate est imat e es t imat e es t imat e estimate estimate estimate est imat e es t imat e experimenta /estimate experimenta /estimate estimate experimenta /estimate experimenta f es t imat e experimenta /estimate estimate

estimate es t imat e estimate experimental estimate es t imat e es t imat e es t imat e estimate estimate estimate estimate es t imat e es t imat e estimate estimate estimate experimental estimate estimate est imat e estimate est imat e estimate estimate estimate estimate estimate estimate estimate es t imat e estimate estimate estimate est imat e estimate estimate estimate es t imate es t imat e estimate es t imat e estimate estimate es t imate estimate experimental estimate estimate es t imat e estimate

exper imenta l / e s t imat e experimental/estimate estimate estimate experimental/estimate es't imate est imat e estimate estimate estimate experimental/es imate es t imat e estimate experimental/es imate estimate estimate estimate es t imat e es t imat e estimate estimate estimate es t imat e

estimate estimate estimate estimate estimate estimate estimate estimate e s t imat e estimate experimental es t imat e estimate estimate estimate estimate estimate estimate estimate es t imat e estimate estimate estimate

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385