| Literature DB >> 17458953 |
Laura Sprunger1, Michael Clark, William E Acree, Michael H Abraham.
Abstract
Gas-to-RTIL (room-temperature ionic liquid) partition coefficients have been compiled for 592 different solute-RTIL combinations. These partition coefficients were converted into water-to-RTIL partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with cation-specific and anion-specific equation coefficients. The derived equations correlated the experimental gas-to-RTIL and water-to-RTIL partition coefficient data to within 0.10 and 0.14 log units, respectively. The 8 sets of calculated cation-specific equation coefficients and 4 sets of calculated anion-specific equation coefficients can be combined to yield expressions capable of predicting the partition coefficients of solutes in 32 different RTILs.Entities:
Year: 2007 PMID: 17458953 DOI: 10.1021/ci7000428
Source DB: PubMed Journal: J Chem Inf Model ISSN: 1549-9596 Impact factor: 4.956