Partition Coefficient and Bioaccumulation of Selected Organic Chemicals

Cary T. Chiou; Virgil H. Freed; David W. Schmedding; Rodger L. Kohnert

doi:10.1021/es60128a001

Partition Coefficient and Bioaccumulation of Selected Organic Chemicals

Cary T. Chiou, Virgil H. Freed, David W. Schmedding, Rodger L. Kohnert

Department of Environmental Engineering

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

565 Citations (Scopus)

Abstract

An empirical equation is established to relate the experimental n-octanol/water partition coefficients to the aqueous solubilities of a wide variety of chemicals including aliphatic and aromatic hydrocarbons, aromatic acids, organochlorine and organophosphate pesticides, and polychlorinated biphenyls. Such a correlation, covering more than eight orders of magnitude in solubility (from 10^-3 to 10⁴ ppm) and six orders of magnitude in partition coefficient (from 10 to 10⁷), allows an assessment of partition coefficient from solubility with a predicted error of less than one order of magnitude. A correlation is observed between the bioconcentration factors in rainbow trout and the aqueous solubilities for some stable organic compounds.

Original language	English
Pages (from-to)	475-478
Number of pages	4
Journal	Environmental Science and Technology
Volume	11
Issue number	5
DOIs	https://doi.org/10.1021/es60128a001
Publication status	Published - 1977 May 1

All Science Journal Classification (ASJC) codes

General Chemistry
Environmental Chemistry

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10.1021/es60128a001

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abstract = "An empirical equation is established to relate the experimental n-octanol/water partition coefficients to the aqueous solubilities of a wide variety of chemicals including aliphatic and aromatic hydrocarbons, aromatic acids, organochlorine and organophosphate pesticides, and polychlorinated biphenyls. Such a correlation, covering more than eight orders of magnitude in solubility (from 10-3 to 104 ppm) and six orders of magnitude in partition coefficient (from 10 to 107), allows an assessment of partition coefficient from solubility with a predicted error of less than one order of magnitude. A correlation is observed between the bioconcentration factors in rainbow trout and the aqueous solubilities for some stable organic compounds.",

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T1 - Partition Coefficient and Bioaccumulation of Selected Organic Chemicals

AU - Chiou, Cary T.

AU - Freed, Virgil H.

AU - Schmedding, David W.

AU - Kohnert, Rodger L.

PY - 1977/5/1

Y1 - 1977/5/1

N2 - An empirical equation is established to relate the experimental n-octanol/water partition coefficients to the aqueous solubilities of a wide variety of chemicals including aliphatic and aromatic hydrocarbons, aromatic acids, organochlorine and organophosphate pesticides, and polychlorinated biphenyls. Such a correlation, covering more than eight orders of magnitude in solubility (from 10-3 to 104 ppm) and six orders of magnitude in partition coefficient (from 10 to 107), allows an assessment of partition coefficient from solubility with a predicted error of less than one order of magnitude. A correlation is observed between the bioconcentration factors in rainbow trout and the aqueous solubilities for some stable organic compounds.

AB - An empirical equation is established to relate the experimental n-octanol/water partition coefficients to the aqueous solubilities of a wide variety of chemicals including aliphatic and aromatic hydrocarbons, aromatic acids, organochlorine and organophosphate pesticides, and polychlorinated biphenyls. Such a correlation, covering more than eight orders of magnitude in solubility (from 10-3 to 104 ppm) and six orders of magnitude in partition coefficient (from 10 to 107), allows an assessment of partition coefficient from solubility with a predicted error of less than one order of magnitude. A correlation is observed between the bioconcentration factors in rainbow trout and the aqueous solubilities for some stable organic compounds.

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JO - Environmental Science and Technology

JF - Environmental Science and Technology

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ER -

Partition Coefficient and Bioaccumulation of Selected Organic Chemicals

Abstract

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