title: Estimating K(oc) for persistent organic pollutants: limitations of correlations with K(ow).
abstract: The n-octanol/water partition coefficient (K(ow)) is commonly used to predict the soil or aquatic particle water partition coefficient normalized to organic carbon (K(oc)). Many correlations are available covering several chemical classes and ranges of hydrophobicity. This work indicates the K(ow) may not be a strong predictor for persistent organic pollutants (POPs) which are defined here as chemicals with logK(ow) > 5.0. In addition, the correlation developed in this work for POPs will still result in a predicted value which is of by a factor of 15. Accordingly, care must be taken when applying K(oc) estimations using K(ow) for POPs until more suitable correlations are developed.
authors.affiliation: Department of Civil and Environmental Engineering, Michigan Technological University, Houghton 49931, USA.
authors.forename: J R
authors.initials: JR
authors.lastname: Baker
authors.forename: J R
authors.initials: JR
authors.lastname: Mihelcic
authors.forename: E
authors.initials: E
authors.lastname: Shea
mesh_terms: D003634:DDT / Q000737:chemistry / Q000378:metabolism; D005449:Fluorenes / Q000737:chemistry / Q000378:metabolism; D008731:Methoxychlor / Q000737:chemistry / Q000378:metabolism; D009930:Organic Chemicals / Q000737:chemistry* / Q000378:metabolism; D010416:Pentachlorophenol / Q000737:chemistry / Q000378:metabolism; D011078:Polychlorinated Biphenyls / Q000737:chemistry / Q000378:metabolism; D011237:Predictive Value of Tests; D012044:Regression Analysis; D012989:Soil Pollutants / Q000378:metabolism*; D014873:Water Pollutants / Q000378:metabolism*
chemical_list: D005449:Fluorenes; D009930:Organic Chemicals; D012989:Soil Pollutants; D014873:Water Pollutants; C007738:fluoranthene; D003634:DDT; D010416:Pentachlorophenol; D011078:Polychlorinated Biphenyls; D008731:Methoxychlor