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:
-
- 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}
}