Solubilities and Partitioning 2. Relationships between Aqueous Solubilities, Partition Coefficients, and Molecular Surface Areas of Rigid Aromatic Hydrocarbons

Samuel H. Yalkowsky, Shri C. Valvani

Research output: Contribution to journalArticle

154 Scopus citations

Abstract

The aqueous solubilities of 31 polycyclic aromatic hydrocarbons and indan can be accurately estimated from melting point and either molecular surface area or f values. (The latter being an approximation of the octanol-water partition coefficient based upon group contribution values.) In both cases, the coefficient of the melting point term is close to 0.01 and the correlation coefficient exceeds 0.987.

Original languageEnglish (US)
Pages (from-to)127-129
Number of pages3
JournalJournal of Chemical and Engineering Data
Volume24
Issue number2
DOIs
StatePublished - Feb 1 1979
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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