ID: | N5929 | |
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Name: | 1-nitropropane, n-pentyl-n-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide | |
Description: | 1-nitropropane [C5MPyrr]+[Tf2N]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C10H22N.C3H7NO2.C2F6NO4S2/c1-3-4-5-8-11(2)9-6-7-10-11;1-2-3-4(5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;2-3H2,1H3;/q+1;;-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
3.902391648499079 |
experimental value |
4.241620656000739 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
3.870918749559823 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |