Toots, K. M.; Sild, S.; Leis, J.; Acree, W. E.; Maran, U. A multicomponent QSPR approach to describe and predict gas-ionic liquid distribution of organic solutes using machine learning. J. Mol. Liq. 2025, 436, 128184.

Compound

	ID:	N1207
	Name:	tetrachloromethane, cyanomethyl(dimethyl)isopropylammonium bis(trifluoromethylsulfonyl)imide
	Description:	tetrachloromethane [CNMeM2iPAm]+[(Tf)2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H15N2.C2F6NO4S2.CCl4/c1-7(2)9(3,4)6-5-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;2-1(3,4)5/h7H,6H2,1-4H3;;/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.812	experimental value
2.291236646710998	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.849999696640882	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)