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Estimation of the Thermodynamic Properties of Hydrocarbons at 298. 15 K

By Domalski, Eugene S.

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Book Id: WPLBN0000660753
Format Type: PDF eBook
File Size: 3.29 MB.
Reproduction Date: 2005
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Title: Estimation of the Thermodynamic Properties of Hydrocarbons at 298. 15 K  
Author: Domalski, Eugene S.
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Language: English
Subject: Technology., Reference materials, Technology and literature
Collections: Techonology eBook Collection
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Domalski, E. S. (n.d.). Estimation of the Thermodynamic Properties of Hydrocarbons at 298. 15 K. Retrieved from http://hawaiilibrary.net/


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Technical Reference Publication

Excerpt
Introduction: For many years, thermodynamicists have been active in the development of numerical methods which correlate molecular structure and sub-structure with a corresponding energy contribution to a thermodynamic property. Some indication of this activity can be found by examining the 144 references at the end of this paper which primarily cover estimation methods and also identify some important reference sources of evaluated thermodynamic properties of hydrocarbon and related compounds. A variety of estimation schemes have emerged which demonstrate that good agreement can be achieved between calculated and experimentally measured thermodynamic properties. Of the estimation schemes which have been developed, the one put together by S.W. Benson and coworkers...

Table of Contents
Contents 1. Introduction.. ........................... 1638 2. Discussion of Results ..................... 1639 2.1. n -Alkanes. .......................... 1639 2.2. Substituted Alkanes .................. 1640 2.3. Linear Alkenes ...................... 164 1 2.4. Substituted Alkenes .................. 164 1 2.5.Alkynes ............................. 1641 2.6. Aromatic Hydrocarbons .............. 1641 2.7. Cycloalkanes and Related Hydrocarbons ............................. 1642 3. Symmetry Numbers and Entropy .......... 1642 4. Summary and Conclusions ................ 1642 5. Acknowledgments . . . . . . . . . . . . . . . 1643 6. References .............................. 1643 Appendix C. Methyl Repulsion Corrections for Branched Hydrocarbons . . . . . . . . . . . . Appendix D. Example Calculations of Total Symmetry Number for Some Hydrocarbon Compounds ............................. Appendix A. Example Calculations of Enthalpy of Formation, Heat capacity, and Entropy at 298.15 K for Some Hydrocarbon Compounds .... 1648 Appendix B. Comparison of Calculated Thermodynamic Properties in the Gas Phase with Benson's Values at 298.15 K . . . . . . . . . . . . . . . 1650 Table 7. Table 1. Table 2. Table 3. Table 4. Table 5. Table 6. 'Present address: 2247 Regina Drive, Clarksburg, MD 20871. 01988 by the U. S. Secretary of Commerce on behalf of the United States. This copyright a assigned to the American Institute of Physics and the American Chemlcal Society. Reprints available from ACS; see Reprints Llst at back of issue. Table 8. List of Tables Additive group contribution values for hydrocarbons at 298.15 K. ...... Ring strain corrections to be applied to cycloalkancs and rclatcd hydrocarbons ............................. n -Alkane hydrocarbons in the gas phase at 298.15 K ................. n -Alkane hydrocarbons in the liquid phase at 298.15 K ................. n -Alkane hydrocarbons in the solid phase at 298.15 K ................. Substituted alkane hydrocarbons (tertiary carbon) in the gas phase at 298.15K ......................... Substituted alkane hydrocarbons (tertiary carbon) in the liquid phase at 298.15 K ......................... Substituted alkane hydrocarbons (tertiary carbon) in the solid phase at 298.15 K ......................... 0047-2689/88/041637-42/$07.00 1637 J. Phys. Chem. Ref. Data, Vol. 17, No. 4,1988

 

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