Evaluation of reverse phase liquid chromatography/mass spectrometry for estimation of n-octanol/water partition coefficients for organic chemicals |
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| Authors: | Lawrence P. Burkhard Douglas W. Kuehl Gilman D. Veith |
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| Affiliation: | Center for Lake Superior Environmental Studies University of Wisconsin-Superior Superior, Wisconsin 54880 USA;U.S. Environmental Protection Agency Environmental Research Laboratory-Duluth 6201 Congdon Boulevard Duluth, Minnesota 55804 USA |
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| Abstract: | A reverse-phase high pressure liquid chromatography/mass spectrometry (HPLC/MS method was developed for estimating n-octanol/water partition coefficients (Kow) of anthropogenic molecules in complex chemical mixtures (e.g., complex effluents and solid waste leachates). The average error for an estimated log Kow was ca. 0.5 and this error was similar for both aliphatic and aromatic compounds. The minimum level of detection using the total ion current profile generally decreased with increasing molecular weight between 100 and 600 daltons. Results obtained demonstrate that the HPLC/MS method is a viable technique for estimating log Kow's of anthropogenic chemicals in complex environmental samples. |
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