Physical Sciences and Mathematics Commons^™

Linear Free Energy Relationship Correlations For Room Temperature Ionic Liquids: Revised Cation-Specific And Anion-Specific Equation Coefficients For Predictive Applications Covering A Much Larger Area Of Chemical Space, Laura M. Sprunger, Jennifer Gibbs, Amy Proctor, William E. Acree Jr., Michael H. Abraham, Yunjing Meng, Cong Yao, Jared L. Anderson

Jared L. Anderson

Previously reported ion-specific equation coefficients for both the Abraham general solvation model and Goss modified Abraham model are updated using recently measured activity coefficient, gas chromatographic retention factor, and solubility data for solutes dissolved in room temperature ionic liquids (RTILs). Reported for the first time are equation coefficients for 1-propyl-2,3-dimethylimidazolium cation, and octylsulfate and thiocyanate anions. In total nine sets of cation-specific and eight sets of anion-specific equation coefficients have been determined for each model. The derived correlations describe the 976 experimental gas-to-RTIL partition coefficients to within a standard deviation of 0.12 log units and the 955 experimental water-to-RTIL partitions …