Calorimetric study of nitrile-chloro group interactions. Comparison with DISQUAC predictions

Abstract

Excess enthalpies, H E, at 298.15 K and atmospheric pressure are reported for binary liquid mixtures of alkanenitrile + 1-chloroalkane. These experimental results, along with literature data on excess Gibbs energies, G E, are interpreted in terms of the DISQUAC group contribution model. The systems are characterized by three types of contact surfaces: nitrile (CN), chloro (Cl) and alkane. The interchange energy parameters of the alkane/CN and alkane/Cl contacts were determined independently from the study of n-alkane + nitrile and n-alkane + chloroalkane systems. The interaction parameters of the CN Cl contacts are reported in this work. The quasi-chemical parameters are constant. The dispersive parameters depend on the environment of the CN and Cl groups. The model provides a fairly consistent description of the experimental data.