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:	N4264
	Name:	acetonitrile, 4-ethyl-4-methylmorpholinium dicyanamide
	Description:	acetonitrile [EMMorp]+[N(CN)2]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H16NO.C2N3.C2H3N/c1-3-8(2)4-6-9-7-5-8;3-1-5-2-4;1-2-3/h3-7H2,1-2H3;;1H3/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3.138085968527338	experimental value
2.846381753664826	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
3.130420602066883	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)