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 shake-flask 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 (Δ sol H ), but also the effect of bromine substitution on S w and Δ sol H . 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.