ID: | N5392 | |
---|---|---|
Name: | nitromethane, cyanomethyl(dimethyl)isopropylammonium bis(trifluoromethylsulfonyl)imide | |
Description: | nitromethane [CNMeM2iPAm]+[(Tf)2N]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C7H15N2.C2F6NO4S2.CH3NO2/c1-7(2)9(3,4)6-5-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-2(3)4/h7H,6H2,1-4H3;;1H3/q+1;-1; |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
3.598 |
experimental value |
3.185738840979102 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
3.479073702773702 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |