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:	N1151
	Name:	diethyl ether, 1-ethyl-3-methylimidazolium tetracyanoborate
	Description:	diethyl ether [MEIm]+[B(CN)4]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C6H11N2.C4BN4.C4H10O/c1-3-8-5-4-7(2)6-8;6-1-5(2-7,3-8)4-9;1-3-5-4-2/h4-6H,3H2,1-2H3;;3-4H2,1-2H3/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.78	experimental value
1.886993279971823	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions)
1.673505793501142	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions)