title: Solid-phase microextraction as a method for estimating the octanol-water partition coefficient.
abstract: The determination of octanol-water partition coefficients (log K(ow)) is important for the prediction of the fate of organic pollutants in the environment. Traditionally, log K(ow) values are determined by shake-flask, estimated by, e.g., HPLC retention data, or calculated, e.g., from ClogP. In this paper, an alternative approach is reported that allows log K(ow) to be estimated from solid-phase microextraction (SPME) data. Previously reported attempts to correlate SPME data with log K(ow) are discussed. The results obtained in this work for six phenols, using an 85 μm polyacrylate-coated fiber, indicate that SPME is a viable method for estimating log K(ow) values <3.5.
authors: Department of Chemical and Life Sciences, Ellison Building, University of Northumbria at Newcastle, Newcastle upon Tyne, Tyne and Wear NE1 8ST, U.K., and Brixham Environmental Laboratory, Zeneca Ltd., Freshwater Quarry, Brixham, Devon TQ5 8BA, U.K.
authors: J R
authors: JR
authors: Dean
authors: W R
authors: WR
authors: Tomlinson
authors: V
authors: V
authors: Makovskaya
authors: R
authors: R
authors: Cumming
authors: M
authors: M
authors: Hetheridge
authors: M
authors: M
authors: Comber