ID: | N487 | |
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Name: | hexane, 3-methyl-n-butylpyridinium triflate | |
Description: | hexane [3-MBPy]+[Trif]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C10H16N.C6H14.CHF3O3S/c1-3-4-7-11-8-5-6-10(2)9-11;1-3-5-6-4-2;2-1(3,4)8(5,6)7/h5-6,8-9H,3-4,7H2,1-2H3;3-6H2,1-2H3;(H,5,6,7)/q+1;;/p-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
1.262 |
experimental value |
1.164182532934856 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
1.201262464831155 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |