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:	N1133
	Name:	tetrachloromethane, 1-(2-hydroxyethyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
	Description:	tetrachloromethane [EtOHMIM]+[Tf2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C6H11N2O.C2F6NO4S2.CCl4/c1-7-2-3-8(6-7)4-5-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;2-1(3,4)5/h2-3,6,9H,4-5H2,1H3;;/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.767065705181956	experimental value
2.070009392318622	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.855110239151178	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)