ID: | N2055 | |
---|---|---|
Name: | propanone, 1-(3-cyanopropyl)-1-methylpyrroldinium thiocyanate | |
Description: | propanone [PrCNMPyrr]+[SCN]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C9H17N2.C3H6O.CHNS/c1-11(7-3-2-6-10)8-4-5-9-11;1-3(2)4;2-1-3/h2-5,7-9H2,1H3;1-2H3;3H/q+1;;/p-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
2.26940262936705 |
experimental value |
2.235654892944826 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
2.320628291484409 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |