Measurements of water solubilities and 1-octanol/water partition coefficients and estimations of Henry's Law constants for brominated benzenes

The water solubilities (S_w) at various temperatures from 283 K to 308 K and 1-octanol/water partition coefficients (K_ow) for four brominated benzenes (1,4-dibromobenzene, 1,2,4-tribromobenzene, 1,2,4,5-tetrabromobenzene, and hexabromobenzene) were measured by either the generator-column or the shakeflask method and the high-performance liquid chromatography method, respectively. These solubility data revealed not only the temperature dependence of S_w, in the form of the enthalpy of solution (Delta;_solH), but also the effect of bromine substitution on S_w and Delta;_solH. To estimate the activity coefficients (γ_w) of the brominated benzenes in water from the present S_w data, enthalpies of fusion and melting points for those compounds were measured with a differential scanning calorimeter. Henry's Law constants (H_w) of the brominated benzenes were derived assuming that the obtained γ_w represented the infinite dilution activity coefficients (γ_w^∞). Some physicochemical characteristics of brominated benzenes were also suggested by comparing the data in this study with that of chlorinated benzenes in the past studies.