ID: | N5535 | |
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Name: | 2-pentanone, 2-methoxyethyl(dimethyl)ethylammonium tris(pentafluoroethyl)trifluorophosphate | |
Description: | 2-pentanone [MeoeM2EAm]+[FAP]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C7H18NO.C6F18P.C5H10O/c1-5-8(2,3)6-7-9-4;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;1-3-4-5(2)6/h5-7H2,1-4H3;;3-4H2,1-2H3/q+1;-1; |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
3.664669617191675 |
experimental value |
3.020258764955486 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
3.660617756541857 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |