ID: | N6046 | |
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Name: | tridecane, hexyl(dimethyl)isopropylammonium bis(trifluoromethylsulfonyl)imide | |
Description: | tridecane [HM2iPAm]+[(Tf)2N]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C13H28.C11H26N.C2F6NO4S2/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-6-7-8-9-10-12(4,5)11(2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-13H2,1-2H3;11H,6-10H2,1-5H3;/q;+1;-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
4.027 |
experimental value |
3.766086295552903 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions) |
3.824401494914873 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions) |