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
JournalJ Chem Eng Data
Volume24
Issue number2
Publication statusPublished - Apr 1979
Externally publishedYes

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ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Chemistry(all)

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