ID: | N1321 | |
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Name: | methylcyclohexane, 2-methoxyethyl(dimethyl)ethylammonium tris(pentafluoroethyl)trifluorophosphate | |
Description: | methylcyclohexane [MeoeM2EAm]+[FAP]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C7H18NO.C7H14.C6F18P/c1-5-8(2,3)6-7-9-4;1-7-5-3-2-4-6-7;7-1(8,9)4(16,17)25(22,23,24,5(18,19)2(10,11)12)6(20,21)3(13,14)15/h5-7H2,1-4H3;7H,2-6H2,1H3;/q+1;;-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
1.877 |
experimental value |
2.314193335467305 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions) |
1.943341377936024 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions) |