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Title: Tricaprylin-water partition coefficients and their temperature dependence for selected chlorobenzenes

Abstract

Measurements of partition coefficients between tricaprylin (glyceryl tri-n-octanoate) and water are reported for seven chlorobenzenes (1,2-dichlorobenzene, 1,4-dichlorobenzene, 1,3,5-trichlorobenzene, 1,2,3,4-tetrachlorobenzene, 1,2,3,5-tetrachlorobenzene, pentachlorobenzene, and hexachlorobenzene) between 5 and 45 C. The values are compared with reported data on octanol-water and triolein-water partition coefficients. The van`t Hoff plots of log K{sub OW} versus T{sup {minus}1} exhibit linearity with values of K{sub OW} increasing by 5--8% over this temperature range, and the enthalpy of phase change varies from 9.7 to 16 kJ/mol. Several reasons are suggested why tricaprylin-water partition coefficients may be preferable to octanol-water and triolein-water partition coefficients when quantifying a substance`s hydrophobicity. The mutual solubilities of tricaprylin and water are less than that of octanol and water. Tricaprylin is easier to purify than triolein and, because of its lower molecular mass, is easier to analyze by gas chromatography.

Authors:
; ; ;  [1]
  1. Univ. of Toronto, Ontario (Canada). Dept. of Chemical Engineering and Applied Chemistry
Publication Date:
OSTI Identifier:
321149
Resource Type:
Journal Article
Journal Name:
Journal of Chemical and Engineering Data
Additional Journal Information:
Journal Volume: 44; Journal Issue: 1; Other Information: PBD: Jan-Feb 1999
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES; CHLORINATED AROMATIC HYDROCARBONS; PARTITION; OCTANOIC ACID; CARBOXYLIC ACID SALTS; AQUEOUS SOLUTIONS; SOLUBILITY; GROUND WATER; SURFACE WATERS; ENVIRONMENTAL TRANSPORT

Citation Formats

Bahadur, N P, Shiu, W Y, Boocock, D G.B., and Mackay, D. Tricaprylin-water partition coefficients and their temperature dependence for selected chlorobenzenes. United States: N. p., 1999. Web. doi:10.1021/je9801462.
Bahadur, N P, Shiu, W Y, Boocock, D G.B., & Mackay, D. Tricaprylin-water partition coefficients and their temperature dependence for selected chlorobenzenes. United States. https://doi.org/10.1021/je9801462
Bahadur, N P, Shiu, W Y, Boocock, D G.B., and Mackay, D. 1999. "Tricaprylin-water partition coefficients and their temperature dependence for selected chlorobenzenes". United States. https://doi.org/10.1021/je9801462.
@article{osti_321149,
title = {Tricaprylin-water partition coefficients and their temperature dependence for selected chlorobenzenes},
author = {Bahadur, N P and Shiu, W Y and Boocock, D G.B. and Mackay, D},
abstractNote = {Measurements of partition coefficients between tricaprylin (glyceryl tri-n-octanoate) and water are reported for seven chlorobenzenes (1,2-dichlorobenzene, 1,4-dichlorobenzene, 1,3,5-trichlorobenzene, 1,2,3,4-tetrachlorobenzene, 1,2,3,5-tetrachlorobenzene, pentachlorobenzene, and hexachlorobenzene) between 5 and 45 C. The values are compared with reported data on octanol-water and triolein-water partition coefficients. The van`t Hoff plots of log K{sub OW} versus T{sup {minus}1} exhibit linearity with values of K{sub OW} increasing by 5--8% over this temperature range, and the enthalpy of phase change varies from 9.7 to 16 kJ/mol. Several reasons are suggested why tricaprylin-water partition coefficients may be preferable to octanol-water and triolein-water partition coefficients when quantifying a substance`s hydrophobicity. The mutual solubilities of tricaprylin and water are less than that of octanol and water. Tricaprylin is easier to purify than triolein and, because of its lower molecular mass, is easier to analyze by gas chromatography.},
doi = {10.1021/je9801462},
url = {https://www.osti.gov/biblio/321149}, journal = {Journal of Chemical and Engineering Data},
number = 1,
volume = 44,
place = {United States},
year = {Fri Jan 01 00:00:00 EST 1999},
month = {Fri Jan 01 00:00:00 EST 1999}
}