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:	N954
	Name:	cyclohexane, 2-methoxyethyl(dimethyl)ethylammonium tris(pentafluoroethyl)trifluorophosphate
	Description:	cyclohexane [MeoeM2EAm]+[FAP]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H18NO.C6F18P.C6H12/c1-5-8(2,3)6-7-9-4;7-1(8,9)4(16,17)25(22,23,24,5(18,19)2(10,11)12)6(20,21)3(13,14)15;1-2-4-6-5-3-1/h5-7H2,1-4H3;;1-6H2/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.652	experimental value
2.084389409694767	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.667072527610472	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)