ID: | N4642 | |
---|---|---|
Name: | nitromethane, n-octyl-n-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide | |
Description: | nitromethane [C8MPyrr]+[Tf2N]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C13H28N.C2F6NO4S2.CH3NO2/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-2(3)4/h3-13H2,1-2H3;;1H3/q+1;-1; |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
3.29 |
experimental value |
3.393099640141714 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
3.308886739708147 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |