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:	N4146
	Name:	ethanol, 1-allyl-3-methylimidazolium dicyanamide
	Description:	ethanol [AllMIm]+[N(CN)2]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H11N2.C2N3.C2H6O/c1-3-4-9-6-5-8(2)7-9;3-1-5-2-4;1-2-3/h3,5-7H,1,4H2,2H3;;3H,2H2,1H3/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3.094	experimental value
2.690215951988976	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions)
3.116198785556386	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions)