Direct measurement of octanol-water partition coefficients of some environmentally relevant brominated diphenyl ether congeners.
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.
Braekevelt
Eric
E
Department of Fisheries and Oceans, Freshwater Institute, 501 University Cresent, Winnipeg, Manitoba, Canada R3T 2N6.
Tittlemier
Sheryl A
SA
Tomy
Gregg T
GT
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004785:Environmental Pollutants; D004987:Ethers; D005411:Flame Retardants / Q000032:analysis*; D000442:Octanols / Q000737:chemistry; D011075:Polybrominated Biphenyls / Q000737:chemistry*; D012995:Solubility; D014867:Water
D004785:Environmental Pollutants; D004987:Ethers; D005411:Flame Retardants; D000442:Octanols; D011075:Polybrominated Biphenyls; D014867:Water