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:	N751
	Name:	diisopropyl ether, 1-butyl-3-methylimidazolium dicyanamide
	Description:	diisopropyl ether [BMIm]+[N(CN)2]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H15N2.C6H14O.C2N3/c1-3-4-5-10-7-6-9(2)8-10;1-5(2)7-6(3)4;3-1-5-2-4/h6-8H,3-5H2,1-2H3;5-6H,1-4H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.508	experimental value
1.859933798573571	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions)
1.649482203732188	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions)