Characterization of Room-Temperature Ionic Liquids by the Abraham Model with Cation-Specific and Anion-Specific Equation Coefficients
نویسندگان
چکیده
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.
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ورودعنوان ژورنال:
- Journal of chemical information and modeling
دوره 47 3 شماره
صفحات -
تاریخ انتشار 2007