Estimation of vapor pressures, solubilities and Henry's law constants of selected persistent organic pollutants as functions of temperature

An internally consistent set of temperature dependent physical-chemical pro perty data was derived for 73 persistent organic pollutants, including poly chlorinated biphenyls, diphenylethers, dibenzo-p-dioxins, and dibenzofurans , organochlorinated pesticides and polycyclic aromatic hydrocarbons. Measur ed data reported in the literature were expanded by different estimation an d regression methods. Temperature dependent vapor pressures were estimated from relative gas chromatographic retention times and by a modified Watson equation. Temperature dependent water solubilities were estimated by equati ons based on mobile order theory modified from Ruelle and Kesselring. The t emperature dependence of Henry's law constants was estimated from the tempe rature dependence of both the vapor pressure and water solubility. The resu lts are presented as intercepts A and slopes B of log-linear relationships of the type log property = A - B / T. Octanol-water partition coefficients of the same compounds at 25 degrees C were also compiled and estimated. A c omparison of the estimated data with literature values showed fair agreemen t. The estimated property values may serve as interim input values to model s of the fate of persistent organic pollutants under variable climatic cond itions. (C) 1999 Elsevier Science Ltd. All rights reserved.