ESTIMATION OF DISQUAC INTERACTION PARAMETERS FOR LOW-MOLECULAR-MASS ANALOGS OF POLYMERS - CHLOROALKANE PLUS ESTER MIXTURES

Literature data for vapor-liquid equilibria, activity coefficients at infinite dilution and enthalpies of mixing of 1-chloroalkanes or alpha,omega-dichloroalkanes + alkyl alkanoates were examined on the basis of the DISQUAC group-contribution model. The interaction parameters for the COO/Cl contacts are reported. The quasi-chemical parameters of 1-chloroalkane or long chain alpha,omega-dichloroalkanes are zero but become increasingly negative for short chain alpha,omega-dichloroalkanes. The model provides a fairly consistent description of the experimental data. The properties of many other systems can be predicted using the same set of parameters.