ID: | N3746 | |
---|---|---|
Name: | ethanol, 1-(3-hydroxypropyl)pyridinium bis(trifluoromethylsulfonyl)imide | |
Description: | ethanol [1-PrOHPy]+[(Tf)2N]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C8H12NO.C2F6NO4S2.C2H6O/c10-8-4-7-9-5-2-1-3-6-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-2-3/h1-3,5-6,10H,4,7-8H2;;3H,2H2,1H3/q+1;-1; |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
2.951 |
experimental value |
2.721853851103505 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions) |
2.842737358018854 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions) |