Melting Point and Normal Boiling Point Correlations: Applications to Rigid Aromatic Compounds

Pahala Simamora, Allan H. Miller, Samuel H. Yalkowsky

Research output: Contribution to journalArticle

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Abstract

Simple group contribution approaches have been developed to estimate the boiling point and melting point of rigid organic molecules based on their chemical structures. The boiling point estimation requires only additive constitutive properties, whereas melting point prediction employs additive constitutive properties and symmetry. The effects of intramolecular hydrogen bonding and the presence of ortho substituents in biphenyls on the boiling and melting temperatures are discussed.

Original languageEnglish (US)
Pages (from-to)437-440
Number of pages4
JournalJournal of Chemical Information and Computer Sciences
Volume33
Issue number3
DOIs
StatePublished - Jan 1 1993

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ASJC Scopus subject areas

  • Chemistry(all)
  • Information Systems
  • Computer Science Applications
  • Computational Theory and Mathematics

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