title: Halogenated methyl-phenyl ethers (anisoles) in the environment: determination of vapor pressures, aqueous solubilities, Henry's law constants, and gas/water- (Kgw), n-octanol/water- (Kow) and gas/n-octanol (Kgo) partition coefficients.
abstract: Halogenated methyl-phenyl ethers (methoxybenzenes, anisoles) are ubiquitous organics in the environment although they are not produced in industrial quantities. Modelling the fate of organic pollutants such as halogenated anisoles requires a knowledge of the fundamental physico-chemical properties of these compounds. The isomer-specific separation and detection of 60 of the 134 possible congeners allowing an environmental fingerprinting are reported in this study. The vapor pressure p0(L) of more than 60 and further physico-chemical properties of 26 available congeners are given. Vapor pressures p0(L), water solubilities S(L)W, and n-octanol/water partition coefficients Kow were determined by capillary HR-GC (High Resolution Gas Chromatography) on a non-polar phase and by RP-HPLC (Reversed Phase High Performance Liquid Chromatography) on a C18 phase with chlorobenzenes as reference standards. From these experimental data the Henry's law constants H, and the gas/water Kgw and gas/n-octanol Kgo partition coefficients were calculated. We found that vapor pressures, water solubilities, and n-octanol/water partition coefficients of the halogenated anisoles are close to those of the chlorobenzenes. A similar environmental fate of both groups can, therefore, be predicted.
authors.affiliation: karlheinz.ballschmiter@chemie.uni-ulm.de
authors.forename: O
authors.initials: O
authors.lastname: Pfeifer
authors.forename: U
authors.initials: U
authors.lastname: Lohmann
authors.forename: K
authors.initials: K
authors.lastname: Ballschmiter
mesh_terms: D000840:Anisoles / Q000032:analysis* / Q000737:chemistry; D002851:Chromatography, High Pressure Liquid; D004785:Environmental Pollutants / Q000032:analysis*; D008401:Gas Chromatography-Mass Spectrometry; D006846:Hydrocarbons, Halogenated / Q000032:analysis* / Q000737:chemistry; D008956:Models, Chemical; D012995:Solubility
chemical_list: D000840:Anisoles; D004785:Environmental Pollutants; D006846:Hydrocarbons, Halogenated