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:	N237
	Name:	diisopropyl ether, 1-ethyl-3-methylimidazolium nitrate
	Description:	diisopropyl ether [MEIm]+[NO3]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C6H11N2.C6H14O.NO3/c1-3-8-5-4-7(2)6-8;1-5(2)7-6(3)4;2-1(3)4/h4-6H,3H2,1-2H3;5-6H,1-4H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
0.923	experimental value
1.673674250669136	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.066160988550808	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)