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Revised Group Additivity Values for Enthalpies of Formation (at 298 K) of Carbon–Hydrogen and Carbon–Hydrogen–Oxygen Compounds

 

作者: N. Cohen,  

 

期刊: Journal of Physical & Chemical Reference Data  (AIP Available online 1996)
卷期: Volume 25, issue 6  

页码: 1411-1481

 

ISSN:0047-2689

 

年代: 1996

 

DOI:10.1063/1.555988

 

出版商: AIP

 

数据来源: AIP

 

摘要:

A program has been undertaken for the evaluation and revision of group additivity values (GAVs) necessary for predicting, by means of Benson’s group additivity method, thermochemical properties of organic molecules. This review reports on the portion of that program dealing with GAVs for enthalpies of formation at 298.15 K (hereinafter abbreviated as 298 K) for carbon–hydrogen and carbon–hydrogen–oxygen compounds. A complete database of experimental data for gas, liquid, and crystal (solid) phase enthalpies of formation is presented. The GAVs, ring strain corrections, and non‐nearest neighbor interactions derived from the database are presented in tabular form, together with a description of their evaluation and comments on reliability, uncertainties, and missing or questionable data. ©1996 American Institute of Physics and American Chemical Society.

 

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