Direct measurement of octanol-water partition coefficients of some environmentally relevant brominated diphenyl ether congeners |
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Authors: | Braekevelt Eric Tittlemier Sheryl A Tomy Gregg T |
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Institution: | Department of Fisheries and Oceans, Freshwater Institute, 501 University Cresent, Winnipeg, Manitoba, Canada R3T 2N6. |
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Abstract: | Octanol-water partition coefficients (K(OW)) of nine environmentally relevant brominated diphenyl ether (BDE) congeners present in two technical mixtures were directly measured using a slow-stir technique. LogK(OW) values of tri- to heptabrominated BDE congeners ranged from 5.74 to 8.27, and were related to bromine content by the equation logK(OW)=0.621(#Br)+4.12(R(2)=0.970). The directly determined K(OW) values were generally lower than those calculated using fragment constant methods, particularly at higher levels of bromine substitution. The quasi-experimental approach of using fragment constants to modify a "backbone" compound of known K(OW) was much more successful than using the fragment constants to "build" the entire molecule. The tri- and tetrabrominated congeners are in the range of optimum bioaccumulation potential. |
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