ID: | N5059 | |
---|---|---|
Name: | 1-propanol, 3-methyl-n-butylpyridinium triflate | |
Description: | 1-propanol [3-MBPy]+[Trif]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C10H16N.C3H8O.CHF3O3S/c1-3-4-7-11-8-5-6-10(2)9-11;1-2-3-4;2-1(3,4)8(5,6)7/h5-6,8-9H,3-4,7H2,1-2H3;4H,2-3H2,1H3;(H,5,6,7)/q+1;;/p-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
3.441 |
experimental value |
3.103931773193473 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
3.516208199299388 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |