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:	N4114
	Name:	ethanol, 1-(3-cyanopropyl)-3-methylimidazolium dicyanamide
	Description:	ethanol [CNPrMIm]+[N(CN)2]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H12N3.C2N3.C2H6O/c1-10-6-7-11(8-10)5-3-2-4-9;3-1-5-2-4;1-2-3/h6-8H,2-3,5H2,1H3;;3H,2H2,1H3/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3.080656045614625	experimental value
2.691445764998568	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
3.055666496113532	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)