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:	N1399
	Name:	methylcyclohexane, 1-butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
	Description:	methylcyclohexane [BM2Im]+[(Tf)2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C9H17N2.C7H14.C2F6NO4S2/c1-4-5-6-11-8-7-10(3)9(11)2;1-7-5-3-2-4-6-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-8H,4-6H2,1-3H3;7H,2-6H2,1H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.922	experimental value
2.14614582077315	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.910845738507061	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)