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:	N1390
	Name:	cyclohexane, n-pentyl-n-methylpiperidinium bis(trifluoromethylsulfonyl)imide
	Description:	cyclohexane [PeMPip]+[(Tf)2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C11H24N.C6H12.C2F6NO4S2/c1-3-4-6-9-12(2)10-7-5-8-11-12;1-2-4-6-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-11H2,1-2H3;1-6H2;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.916	experimental value
2.049331230009616	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.932550087869211	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)