Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

Through the shake-flask method, the solubility of 2,6-dichloro-4-nitroaniline (DCNA) in twelve pure solvents of n-butanol, n-propanol, methanol, ethylene glycol (EG),ethanol, isopropanol, acetonitrile, cyclohexane, 1,4-dioxoane, ethyl acetate, water and N-methyl pyrrolidone (NMP) was achieved over the temperatures from 278.15 to 323.15 K at ambient pressure of p = 101.2 kPa. The mole fraction solubility of DCNA in above solvents increased as the temperature increased and ranked as: NMP greater than 1,4-dioxoane greater than ethyl acetate greater than acetonitrile greater than n-butanol greater than n-propanol greater than ethanol greater than EG greater than isopropanol greater than methanol greater than cyclohexane greater than water. The solvent-solvent and solvent-solute interactions upon the DCNA solubility were investigated using the linear solvation energy relationship on the basis of the solvent descriptors. The acquired solubility was correlated using the NRTL model, h equation, modified Apelblat equation and Wilson model. The obtained maximum relative average deviation and root-mean-square deviation through the four models were 6.53x10-2 and 13.73x10-4, respectively. In general, the relative average deviation values achieved through the modified Apelblat equation were lower than those with the other three equations for a certain solvent. In addition, the mixing properties, reduced excess enthalpy and activity coefficient under infinitesimal concentration were derived based on the Wilson model.