Literature DB >> 17458953

Characterization of room-temperature ionic liquids by the Abraham model with cation-specific and anion-specific equation coefficients.

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


  1 in total

1.  Machine Learning Quantitative Structure-Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons.

Authors:  Karl Marti Toots; Sulev Sild; Jaan Leis; William E Acree; Uko Maran
Journal:  Int J Mol Sci       Date:  2022-07-07       Impact factor: 6.208

  1 in total

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