Compound
| ID: | N5340 | |
|---|---|---|
| Name: | 1,4-dimethylbenzene, 1,2,3-tris(diethylamino)cyclopropenylium bis(trifluoromethylsulfonyl)imide | |
| Description: | 1,4-dimethylbenzene [TDC]+[Tf2N]- | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C15H30N3.C8H10.C2F6NO4S2/c1-7-16(8-2)13-14(17(9-3)10-4)15(13)18(11-5)12-6;1-7-3-5-8(2)6-4-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-12H2,1-6H3;3-6H,1-2H3;/q+1;;-1 |
Properties
logK: Gas-ionic liquid partition coefficient
| Value | Source or prediction |
|---|---|
| 3.569276377529698 |
experimental value |
| 3.515039356160518 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
| 3.605848891111453 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |