Estimation of the Heat Capacities of Organic Liquids as a Function of Temperature using Group Additivity. II. Compounds of Carbon, Hydrogen, Halogens, Nitrogen, Oxygen, and Sulfur
作者:
Vlastimil Ru˚zˇicˇka,
Eugene S. Domalski,
期刊:
Journal of Physical & Chemical Reference Data
(AIP Available online 1993)
卷期:
Volume 22,
issue 3
页码: 619-657
ISSN:0047-2689
年代: 1993
DOI:10.1063/1.555924
出版商: AIP
数据来源: AIP
摘要:
A second‐order group additivity method has been developed for the estimation of the heat capacity of liquid organic compounds containing carbon, hydrogen, halogens, nitrogen, oxygen, and sulfur. The method permits the estimation of the heat capacity as a function of temperature in the range from the melting temperature to the normal boiling temperature. Group contributions and structural corrections have been made temperature dependent by the use of a polynomial expression. The adjustable parameters in the polynomials have been calculated using a weighted least squares minimization procedure. This work has drawn information for both the development and testing of the method from a large compilation of critically evaluated heat capacity data for over 1300 organic liquids.
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