| ID: | N564 | |
|---|---|---|
| Name: | 3-methylpentane, n-butyl-n-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide | |
| Description: | 3-methylpentane [C4MPyrr]+[Tf2N]- | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C9H20N.C6H14.C2F6NO4S2/c1-3-4-7-10(2)8-5-6-9-10;1-4-6(3)5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;6H,4-5H2,1-3H3;/q+1;;-1 |
Properties
logK: Gas-ionic liquid partition coefficient
| Value | Source or prediction |
|---|---|
| 1.34432005701828 |
experimental value |
| 1.233508314370986 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
| 1.34590528173738 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |