title: Physicochemical and biochemical properties for the dialkyl phthalates.
abstract: Abraham descriptors for 40 phthalate esters have been calculated from a variety of experimental data, including water-solvent partition coefficients, high performance liquid chromatographic and gas chromatographic retention times. These descriptors can then be used to calculate a large number of physicochemical and biochemical properties of the esters; values are given for dinonyl phthalate as an example. Once the Abraham descriptors have been obtained for a given phthalate ester, no more than simple arithmetic is needed to calculate values of a huge range of properties. The 'three solubility method' yields data that are consistent for a particular physicochemical property, but not necessarily correct data. Previous literature values for air-water partition coefficients for the higher phthalates are likely to be incorrect by several orders of magnitude.
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London WC1H OAJ, UK. Electronic address: ucca16a@ucl.ac.uk.
authors.forename: Michael H
authors.initials: MH
authors.lastname: Abraham
authors.affiliation: Department of Chemistry, 1155 Union Circle Drive #305070, University of North Texas, Denton, TX 76203-5017, United States.
authors.forename: William E
authors.initials: WE
authors.lastname: Acree
mesh_terms: D002849:Chromatography, Gas / Q000379:methods; D002851:Chromatography, High Pressure Liquid; D004952:Esters / Q000737:chemistry*; D008956:Models, Chemical; D010795:Phthalic Acids / Q000737:chemistry*; D012995:Solubility; D012997:Solvents / Q000737:chemistry; D014867:Water / Q000737:chemistry
chemical_list: D004952:Esters; D010795:Phthalic Acids; D012997:Solvents; D014867:Water; C032279:phthalic acid
keywords: Abraham descriptors; Air–solvent partition coefficients; Solubility; Water–solvent partition coefficients