Temperature-Dependent Linear Solvation Energy Relationship for the Determination of Gas-Liquid Partition Coefficients of Organic Compounds in Ionic Liquids

Abstract

In this work, a new group contribution method was used for calculating gas-to-ionic liquid partition coefficients (log KL) of molecular solutes in ILs with a temperature-dependent linear solvation energy relationship. About 36 group parameters are used to correlate 14,762 log KL data points of organic compounds in ionic liquids. The experimental log KL data have been collected from the published literature for different solutes in ionic liquids at different temperatures within the range of 293.15–396.35 K. The calculated log KL data showed a satisfactory agreement with experimental data with an average absolute relative deviation (AARD) of 6.39%.