title: Correlation relationships between physico-chemical properties and gas chromatographic retention index of polychlorinated-dibenzofurans.
abstract: Correlation relationships between physico-chemical properties including vapor pressures (P), water solubilities (S), Henry's law constants (H(c)), n-octanol-water partition coefficients (K(ow)), sediment-water partition coefficient (K(pw)) and biotic lipid-water partition coefficient (K(bw), bioconcentration factor) of polychlorinated-dibenzofurans (PCDFs) and their gas chromatographic retention indices (GC-RIs) were established. A model equation between GC-RIs (= RI) and these physico-chemical properties (K) of PCDFs was in a form of log K = aRI2 + bRI + c with correlation coefficients (R2) greater than 0.94, except H(c). These equations were derived from six experimental data (five experimental data for log K(bw)) in each physico-chemical properties of PCDFs reported previously. The values of log P, log S, log H(c), log K(ow), log K(pw) and log K(bw) of PCDFs predicted by these equations based on their GC-RIs in the present study derviated from those calculated by the solubility parameters for fate analysis method in a previous study by 0.49, 0.32, 0.11, 0.34, 0.14 and 0.22 log units, respectively.
authors.affiliation: Department of Urban and Environmental Science, Peking University, Beijing 100871, China.
authors.forename: Y H
authors.initials: YH
authors.lastname: Wang
authors.forename: P K
authors.initials: PK
authors.lastname: Wong
mesh_terms: D001572:Benzofurans / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D002849:Chromatography, Gas; D000072338:Dibenzofurans, Polychlorinated; D004785:Environmental Pollutants; D005544:Forecasting; D008956:Models, Chemical; D012016:Reference Values; D012995:Solubility; D014835:Volatilization
chemical_list: D001572:Benzofurans; D000072338:Dibenzofurans, Polychlorinated; D004785:Environmental Pollutants