Compound
| ID: | N3824 | |
|---|---|---|
| Name: | 1-nitropropane, 1-ethyl-3-methylimidazolium methanesulfonate | |
| Description: | 1-nitropropane [EMIm]+[MeSO3]- | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C6H11N2.C3H7NO2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-2-3-4(5)6;1-5(2,3)4/h4-6H,3H2,1-2H3;2-3H2,1H3;1H3,(H,2,3,4)/q+1;;/p-1 |
Properties
logK: Gas-ionic liquid partition coefficient
| Value | Source or prediction |
|---|---|
| 2.978014646089476 |
experimental value |
| 3.786120187061341 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
| 2.967802474753276 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |