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Estimation of the Thermodynamic Properties of C-H-N-O-S-Halogen Compounds at 298. 15 K

By Domalski, Eugene S.

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Book Id: WPLBN0000659573
Format Type: PDF eBook
File Size: 25.17 MB.
Reproduction Date: 2005

Title: Estimation of the Thermodynamic Properties of C-H-N-O-S-Halogen Compounds 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 C-H-N-O-S-Halogen Compounds at 298. 15 K. Retrieved from http://www.worldpubliclibrary.org/


Description
Technical Reference Publication

Excerpt
Introduction: This paper is the second part of a communication on the group-additivity method for the estimation of the heat capacities of liquids as a function of temperature (93RUZIDOMl). The main objective of the project was to develop a second-order group-additivity method for organic compounds including both hydrocarbons and non-hydrocarbons. The method follows the definition of groups according to Benson and coworkers (58BENBUS, 69BENl CRU).

Table of Contents
Contents 1. Introduction ...... ...... .. .............. . 806 2. Discussion of Results . . . . . . . . . . . . . . . . . . . . . . . 809 2 .I. Hydrocarbon Compounds. . . . . . . . . . . . . 809 2.2. Organic Oxygen Compounds.. . . . . . . . . 809 2.3. Organic. Nitrogen Cnmpn~inds.. . . . . . . . 83 0 2.4. Organic Sulfur Compounds . . . . . . . . . . . 812 2.5. Organic Halogen Compounds.. . . . . . . . 812 2.6. Comparison with an extended secondorder group-additivity scheme.. . . . . . . . 813 2.7. Summary and Conclusions . . . . . . . . . . . . 813 3 Tables of C-H-N-O-S-Halogen Compounds. 814 4. Acknowledgenrer~ts. .. .... . .. .. . . . . . .... . .. 1136 5. References .. .. .... ... ...... .... .... ...... .. 1136 Appendices 1. Comparison of literature data for enthalpies and entropies of fusion and enthalpies of vaporization with estimated differences [AK(solid) - AJl(liq)], [SO(solid) - SO(liq)] [AJIO(liq)- AJlO(g)], at 298.15 K .. . . .. . . . . .. 1152 2. Groups derived from thermodynamic data for a single compound as its source . . . . . . . . . . . . . . . 1153 Present address: 2247 Regina Drive, Clarksburg, MD 20871. 01993 by the U.S. Secretary of Commerce on behalf of the United States. This copyright is assigned to the American Institute of Physics and the American Chemical Society. Reprints available from ACS; see Reprints List at back of issue. 3. Comparison between second-order group additivity approach (Benson) and the extended second-order group additivity approach (Pedley). . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1157 List of Tables C-H-N-&%Halogen Families . . . . . . . . . . . . Listing of Groups and Group Values . . . . . . . General Definitions and Examples of Notations for Organic Compounds . . . . . . . . . . . . . . Nolr~lal alkanes . . . . . . . . . . . . . . . . . . . . . . . . . . . Tertiary branched alkanes.. . . . . . . , . . . . . . . . . Quaternary branched alkanes . . . . . . . . . . . . . . Linear alkenes ............................ Branched alkenes.. . . . . . . . . . . . . . . . . . . . . . . . . Alkyne hydrocarbons . . . . . . . . . . . . . . . . . . . . . . Aromatic hydrocarbons CH-01 .. . . . . . . . . . . . Aromatic hydrocarbons CH-02. . . . . . . . . . . . . Cyclic hydrocarbons CH-01. . . . . . . . . . . . . . . . Cyclic hydrocarbons CH-02 . . . . . . . . . . . . . . . . Cyclic hydrocarbons CH-03 . . . . . . . . . . . . . . . , Alcohols, diols, triols, phenols . . . . . . . . . . . . . Linear, branched, and cyclic ethers.. . . . . . . . Aldehydes ................................ Ketones. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Linear, branched, cyclic, and aromatic acids. Anhydrides. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Esters and lactones.. . . . . . . . . . . . . . . . . . . . . . Peroxides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Hydroperoxides . . . . . . . . . . . . . . . . . . . . . . . . . . . 0047-2689/93/22(4)/805/355I$80.M) 805 J. Phys. Chern. Ref. Data, Vol. 22, No. 4, 1993

 

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