Estimation of the Heat Capacities of Organic Liquids as a Function of Temperature using Group Additivity. I. Hydrocarbon Compounds
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: 597-618
ISSN:0047-2689
年代: 1993
DOI:10.1063/1.555923
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 hydrocarbons as a function of temperature in the range from the melting temperature to the normal boiling temperature. The temperature dependence of group contributions and structural corrections has been represented by a polynomial expression. The adjustable parameters in the polynomials have been calculated using a weighted least squares minimization procedure. Recommended heat capacities from a large compilation of critically evaluated data that contains over 1300 organic liquids served as a database both for the development and testing of the method.
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