Simplified estimation of the octanol-air partition coefficient

Kia Sepassi; Samuel H. Yalkowsky

doi:10.1021/ie061156w

Simplified estimation of the octanol-air partition coefficient

Kia Sepassi, Samuel H. Yalkowsky

Pharmacology and Toxicology

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

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 language	English (US)
Pages (from-to)	2220-2223
Number of pages	4
Journal	Industrial and Engineering Chemistry Research
Volume	46
Issue number	7
DOIs	https://doi.org/10.1021/ie061156w
State	Published - Mar 28 2007

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Industrial and Manufacturing Engineering

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10.1021/ie061156w

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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.",

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AB - 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.

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Simplified estimation of the octanol-air partition coefficient

Abstract

ASJC Scopus subject areas

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