Estimation of heat capacity of boiling of organic compounds

Ritesh Sanghvi; Samuel H. Yalkowsky

doi:10.1021/ie050675g

Estimation of heat capacity of boiling of organic compounds

Ritesh Sanghvi, Samuel H. Yalkowsky

Pharmacology and Toxicology

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

The aim of this study is to develop a widely applicable model for predicting the heat-capacity change associated with boiling at atmospheric pressure (AC _pb) of organic compounds. A semiempirical model is generated utilizing a flexibility index (τ) and a hydrogen-bonding parameter. This model is based upon experimental apparent ΔC _pb values of 619 organic compounds. The average absolute error for the estimation is [7.1 J/K mol. The proposed model quantitatively establishes the impact of flexibility and hydrogen bonding on the apparent ~ΔC _pb It is shown to be more accurate when compared to some of the previously described methods.

Original language	English (US)
Pages (from-to)	451-453
Number of pages	3
Journal	Industrial and Engineering Chemistry Research
Volume	45
Issue number	1
DOIs	https://doi.org/10.1021/ie050675g
State	Published - Jan 4 2006

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Industrial and Manufacturing Engineering

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AB - The aim of this study is to develop a widely applicable model for predicting the heat-capacity change associated with boiling at atmospheric pressure (AC pb) of organic compounds. A semiempirical model is generated utilizing a flexibility index (τ) and a hydrogen-bonding parameter. This model is based upon experimental apparent ΔC pb values of 619 organic compounds. The average absolute error for the estimation is [7.1 J/K mol. The proposed model quantitatively establishes the impact of flexibility and hydrogen bonding on the apparent ~ΔC pb It is shown to be more accurate when compared to some of the previously described methods.

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Estimation of heat capacity of boiling of organic compounds

Abstract

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