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:	N3889
	Name:	undecane, trimethyl(butyl)ammonium bis(trifluoromethylsulfonyl)imide
	Description:	undecane [M3BAm]+[Tf2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C11H24.C7H18N.C2F6NO4S2/c1-3-5-7-9-11-10-8-6-4-2;1-5-6-7-8(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-11H2,1-2H3;5-7H2,1-4H3;/q;+1;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3	experimental value
2.988959389668707	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
3.046651377829952	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)