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:	N644
	Name:	tert-butyl methyl ether, 1-allyl-3-methylimidazolium dicyanamide
	Description:	tert-butyl methyl ether [AllMIm]+[N(CN)2]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H11N2.C5H12O.C2N3/c1-3-4-9-6-5-8(2)7-9;1-5(2,3)6-4;3-1-5-2-4/h3,5-7H,1,4H2,2H3;1-4H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.408	experimental value
1.826992475936086	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.341769335600856	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)