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:	N3678
	Name:	toluene, cyanomethyl(dimethyl)isopropylammonium bis(trifluoromethylsulfonyl)imide
	Description:	toluene [CNMeM2iPAm]+[(Tf)2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H15N2.C7H8.C2F6NO4S2/c1-7(2)9(3,4)6-5-8;1-7-5-3-2-4-6-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,6H2,1-4H3;2-6H,1H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
2.93	experimental value
3.186324820125475	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
2.898036993251919	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)