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Estimation of the Thermodynamic Properties of C‐H‐N‐O‐S‐Halogen Compounds at 298.15 K

 

作者: Eugene S. Domalski,   Elizabeth D. Hearing,  

 

期刊: Journal of Physical & Chemical Reference Data  (AIP Available online 1993)
卷期: Volume 22, issue 4  

页码: 805-1159

 

ISSN:0047-2689

 

年代: 1993

 

DOI:10.1063/1.555927

 

出版商: AIP

 

数据来源: AIP

 

摘要:

An estimation method, which was developed by S. W. Benson and coworkers for calculating the thermodynamic properties of organic compounds in the gas phase, has been extended to the liquid and solid phases for organic compounds at 298.15 K and 101,325 Pa. As with a previous paper dealing with hydrocarbon compounds, comparisons of estimated enthalpies of formation, heat capacities, and entropies with literature values show that extension of the Benson’s group additivity approach to the condensed phase is easy to apply and gives satisfactory agreement. Corresponding values for the entropy of formation, Gibbs energy of formation and natural logarithm of the equilibrium constant for the formation reaction are also calculated provided necessary auxiliary data are available. This work covers 1512 compounds containing the elements: carbon, hydrogen, oxygen, nitrogen, sulfur, and halogens in the gas, liquid, and solid phases. About 1000 references are provided for the literature values which are cited. §

 

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