Simplified estimation of the octanol-air partition coefficient

Kia Sepassi, Samuel H Yalkowsky

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The octanol-air partition coefficient is commonly used to understand the extent of chemical partitioning between the atmosphere and organic matter in the environment. In this study, octanol-air partition coefficients were estimated by generating an expression from combining empirical equations for the molar octanol solubility and saturated vapor pressures of organic compounds. The resultant equation simply estimates octanol-air partition coefficients from boiling points, entropies of boiling, and heat capacity changes on boiling.

Original languageEnglish (US)
Pages (from-to)2220-2223
Number of pages4
JournalIndustrial and Engineering Chemistry Research
Volume46
Issue number7
DOIs
StatePublished - Mar 28 2007

Fingerprint

Octanols
partition coefficient
Boiling liquids
air
Air
Boiling point
heat capacity
Vapor pressure
vapor pressure
Organic compounds
Biological materials
Specific heat
entropy
organic compound
solubility
Entropy
partitioning
Solubility
organic matter
atmosphere

ASJC Scopus subject areas

  • Polymers and Plastics
  • Environmental Science(all)
  • Chemical Engineering (miscellaneous)

Cite this

Simplified estimation of the octanol-air partition coefficient. / Sepassi, Kia; Yalkowsky, Samuel H.

In: Industrial and Engineering Chemistry Research, Vol. 46, No. 7, 28.03.2007, p. 2220-2223.

Research output: Contribution to journalArticle

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