title: The partition behavior of fluorotelomer alcohols and olefins.
abstract: In this paper we present a number of equilibrium partition constants for fluorotelomer alcohols and olefins among them data for air/water and octanol/air partitioning. These data are typically required for environmental fate modeling. Our data deviate substantially from those in the literature. A comprehensive check for consistency and plausibility strongly suggests that the data published here are correct. As a consequence the fluorotelomer alcohols will sorb much more to organic phases and have a smaller tendency to remain in the water phase than expected based on previous data. The presented partition data also allow us to derive descriptors for the various kinds of specific (e.g., H-bonds) and nonspecific (e.g., van der Waals) intermolecular interactions thatthe compounds can undergo. These descriptors can be used in polyparameter linear free energy relationships (pp-LFER) in orderto predict a large variety of other partition coefficients (e.g., air/solvent, solvent/ water) as well as the temperature dependence of their air/ water partitioning. The experimental and theoretical approach that we present here can serve as a general example for what needs to be done in order to ensure high quality physicochemical data for organic pollutants.
authors.affiliation: ETH Zürich Department of Environmental Sciences, Universitätsstr. 16, 8092 Zürich, Switzerland. goss@env.ethz.ch
authors.forename: Kai-Uwe
authors.initials: KU
authors.lastname: Goss
authors.forename: Guido
authors.initials: G
authors.lastname: Bronner
authors.forename: Tom
authors.initials: T
authors.lastname: Harner
authors.forename: Monika
authors.initials: M
authors.lastname: Hertel
authors.forename: Torsten C
authors.initials: TC
authors.lastname: Schmidt
mesh_terms: D000388:Air; D000438:Alcohols / Q000032:analysis / Q000737:chemistry*; D000475:Alkenes / Q000032:analysis / Q000737:chemistry*; D006845:Hydrocarbons, Fluorinated / Q000032:analysis / Q000737:chemistry*; D000442:Octanols / Q000737:chemistry; D014835:Volatilization; D014867:Water / Q000737:chemistry
chemical_list: D000438:Alcohols; D000475:Alkenes; D006845:Hydrocarbons, Fluorinated; D000442:Octanols; D014867:Water