ID: | N6330 | |
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Name: | 1-octanol, 1-(2-hydroxyethyl)-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate | |
Description: | 1-octanol [ETOHMIm]+[FAP]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C8H18O.C6F18P.C6H11N2O/c1-2-3-4-5-6-7-8-9;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;1-7-2-3-8(6-7)4-5-9/h9H,2-8H2,1H3;;2-3,6,9H,4-5H2,1H3/q;-1;+1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
4.816854494335919 |
experimental value |
4.76933444275315 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
4.738147576490922 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |