ID: | N2542 | |
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Name: | 1-heptyne, n,n-diethyl-n-methyl-n-(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide | |
Description: | 1-heptyne [MeoeE2MAm]+[(Tf)2N]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C8H20NO.C7H12.C2F6NO4S2/c1-5-9(3,6-2)7-8-10-4;1-3-5-7-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;1H,4-7H2,2H3;/q+1;;-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
2.512 |
experimental value |
2.393800614955179 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
2.485621863169269 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |