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:	N3962
	Name:	acetonitrile, 1-hydroxypropyl-3-methylimidazolium dicyanamide
	Description:	acetonitrile [PrOHMIm]+[N(CN)2]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H13N2O.C2N3.C2H3N/c1-8-4-5-9(7-8)3-2-6-10;3-1-5-2-4;1-2-3/h4-5,7,10H,2-3,6H2,1H3;;1H3/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3.024745919826811	experimental value
2.730004282079967	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
3.047986666147275	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)