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:	N1339
	Name:	methylcyclohexane, n,n-diethyl-n-methyl-n-(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide
	Description:	methylcyclohexane [MeoeE2MAm]+[(Tf)2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H20NO.C7H14.C2F6NO4S2/c1-5-9(3,6-2)7-8-10-4;1-7-5-3-2-4-6-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;7H,2-6H2,1H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.887	experimental value
2.14466291340162	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.887963618835702	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)