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N-OCTANOL/WATER PARTITION COEFFICIENTS BY REVERSE PHASE LIQUID CHROMATOGRAPHY/MASS SPECTROMETRY FOR EIGHT TETRACHLORINATED PLANAR MOLECULES
Citation:
Burkhard, L. AND D. Kuehl. N-OCTANOL/WATER PARTITION COEFFICIENTS BY REVERSE PHASE LIQUID CHROMATOGRAPHY/MASS SPECTROMETRY FOR EIGHT TETRACHLORINATED PLANAR MOLECULES. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/J-86/103 (NTIS PB86215563), 1986.
Description:
In understanding and modeling the toxicological and pharmacokinetic properties of organic chemicals, physical-chemical properties such as aqueous solubilities, vapor pressures, and n-octanol/water partition coefficients are required. Currently, the octanol/water partition coefficients (K sub ow's) are limited for chlorinated planar molecules, e.g., dibenzo-p-dioxins, dibenzofurans, biphenylenes, and carbazoles. In the paper, log K sub ow's determined using a reverse phase liquid chromatography/mass spectrometry technique are reported for eight tetrachlorinated planar molecules. In addition, the authors report a reevaluation of log K sub ow's for fifteen polychlorinated dibenzofurans and dibenzo-p-dioxins previously reported by Sarna et al. The reevaluation was performed by using experimental rather than estimated log K sub ow's in the correlative relationship.