Correlation relationships between physico-chemical properties and gas chromatographic retention index of polychlorinated-dibenzofurans

Correlation relationships between physico-chemical properties including vapor pressures (P), water solubilities (S), Henry’s law constants (Hc), n-octanol–water partition coefficients (Kow), sediment–water partition coefficient (Kpw) and biotic lipid–water partition coefficient (Kbw, 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 logK=aRI2+bRI+c with correlation coefficients (R2) greater than 0.94, except Hc. These equations were derived from six experimental data (five experimental data for logKbw) in each physico-chemical properties of PCDFs reported previously. The values of logP, logS, logHc, logKow, logKpw and logKbw 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.