A modification of Trouton's rule by simple molecular parameters for hydrocarbon compounds

Luwei Zhao, Na Ni, Samuel H. Yalkowsky

Research output: Contribution to journalArticle

30 Scopus citations

Abstract

The entropy of vaporization at the normal boiling point (ΔSb) is an important property in the chemical engineering and environmental sciences. This paper presents a simple modification of Trouton's rule to estimate this property for a variety of hydrocarbon compounds including alkanes, alkenes, alkynes, dienes, cycloalkanes, and alkyl aromatics. The equation contains three easy-to-determine parameters that describe important molecular features: flexibility, symmetry, and planarity. The entropy data were calculated from experimental enthalpy data of 477 different organic compounds at the normal boiling point. The average percentage error for the prediction is 1.30 by the proposed method, 2.79 by Trouton's rule, 1.62 by Kistiakowsky's method, 1.51 by Vetere's method, and 2.23 by the group contribution method of Ma and Zhao.

Original languageEnglish (US)
Pages (from-to)324-327
Number of pages4
JournalIndustrial and Engineering Chemistry Research
Volume38
Issue number1
DOIs
StatePublished - Jan 1 1999

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Industrial and Manufacturing Engineering

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