ID: | N1606 | |
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Name: | 2,2,4-trimethylpentane, n-hexyl-n-methylpiperidinium bis(trifluoromethylsulfonyl)imide | |
Description: | 2,2,4-trimethylpentane [HMPip]+[(Tf)2N]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C12H26N.C8H18.C2F6NO4S2/c1-3-4-5-7-10-13(2)11-8-6-9-12-13;1-7(2)6-8(3,4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-12H2,1-2H3;7H,6H2,1-5H3;/q+1;;-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
2.035 |
experimental value |
1.600817421348303 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions) |
2.049808207635111 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions) |