Solvation Enthalpy for Disubstituted Benzene Isomers using Multiple Approaches

Abstract

Enthalpy of solvation is an essential parameter for knowing how to use chemicals in medicine and industrial sectors. There are some models in estimation solvation enthalpy using computational approaches. In this study, there are indicated various methods includes; additive scheme, solution calorimetry, molar refraction, and Abraham model in estimation enthalpy of solvation. Accordingly, disubstituted benzene compounds were employed for calculating solvation enthalpy to different solvents. By the way, it could be known the position affect as well as the solvent impact. Finally, the polarity and nonpolarity affects are interpreted with respect to the solvation enthalpy through the methods. Besides, in the present study, the isomer impact and polarity of substituted groups are also discussed.