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:	N1563
	Name:	diisopropyl ether, trimethyl(hexyl)ammonium bis(trifluoromethylsulfonyl)imide
	Description:	diisopropyl ether [HexM3Am]+[Tf2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C9H22N.C6H14O.C2F6NO4S2/c1-5-6-7-8-9-10(2,3)4;1-5(2)7-6(3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H2,1-4H3;5-6H,1-4H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
2.007	experimental value
2.068930988106787	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.979227113365758	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)