Estimation of the molar heat capacity change on melting of organic compounds

Research output: Contribution to journalArticlepeer-review

14 Scopus citations


A simple equation to predict the differential molar heat capacity (ΔCp m) of the solid and liquid forms for the organic compounds at their melting point (T m) is developed. Only three parameters are used: the molecular flexibility number (τ), the molecular symmetry number (σ), and the hydrogen bond number (HBN). The results for more than 100 compounds show that the average absolute error of ΔCp m is 13.4 J/(mol K). This is less than the average absolute errors obtained by any of the three schemes proposed in a previous report [Pappa, G. D.; Voutsas, E. C.; Magoulas, K.; Tassios, D. P. Ind. Eng. Chem. Res. 2005, 44, 3799].

Original languageEnglish (US)
Pages (from-to)1063-1066
Number of pages4
JournalIndustrial and Engineering Chemistry Research
Issue number2
StatePublished - Jan 21 2009

ASJC Scopus subject areas

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


Dive into the research topics of 'Estimation of the molar heat capacity change on melting of organic compounds'. Together they form a unique fingerprint.

Cite this