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:	N807
	Name:	ethyl tert-amyl ether, 1-ethyl-3-methylimidazolium ethylsulfate
	Description:	ethyl tert-amyl ether [MEIm]+[EtSO4]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H16O.C6H11N2.C2H6O4S/c1-5-7(3,4)8-6-2;1-3-8-5-4-7(2)6-8;1-2-6-7(3,4)5/h5-6H2,1-4H3;4-6H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q;+1;/p-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.55	experimental value
2.128000751849557	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.710171566705493	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)