Compound
| ID: | N6273 | |
|---|---|---|
| Name: | propionic acid, 1-(3-hydroxypropyl)pyridinium tris(pentafluoroethyl)trifluorophosphate | |
| Description: | propionic acid [1-PrOHPy]+[FAP]- | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C8H12NO.C6F18P.C3H6O2/c10-8-4-7-9-5-2-1-3-6-9;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;1-2-3(4)5/h1-3,5-6,10H,4,7-8H2;;2H2,1H3,(H,4,5)/q+1;-1; |
Properties
logK: Gas-ionic liquid partition coefficient
| Value | Source or prediction |
|---|---|
| 4.513495392660426 |
experimental value |
| 3.653045729225232 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
| 4.385396232719782 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |