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

ABSTRACT

Solubilities of 3-nitrobenzonitrile in twelve organic solvents including methanol, ethanol, n-propanol, isopropanol, acetone, n-butanol, 2-methyl-1-propanol, acetonitrile, acetic acid, ethyl acetate, cyclohexane and toluene were measured by the static method within a temperature range from (278.15 to 318.15) K under atmospheric pressure of 101.1 kPa. The mole fraction solubility of 3-nitrobenzonitrile in the selected solvents increased with a rise of temperature. In general, they ranked as acetone greater than (acetonitrile, ethyl acetate) greater than toluene greater than acetic acid greater than methanol greater than ethanol greater than n-propanol greater than n-butanol greater than isopropanol greater than 2-methyl-1-propanol greater than cyclohexane. The achieved solubilities of 3-nitrobenzonitrile were correlated via the Eh equation, modified Apelblat equation, NRTL model and Wilson model. The maximum relative average deviation and root-mean-square deviation were 1.87 % and 2.399 ~10-3, respectively. Finally, the mixing properties, e.g. change of Gibbs energy, enthalpy, entropy, activity coefficient at infinitesimal concentration and reduced excess enthalpy were also derived based on the Wilson model. The mixing process of 3-nitrobenzonitrile in these solvents was endothermic and spontaneous.