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:	N191
	Name:	tert-butyl methyl ether, 1-hydroxyethyl-1-methylmorpholinium dicyanamide
	Description:	tert-butyl methyl ether [EtOHMMorp]+[N(CN)2]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H16NO2.C5H12O.C2N3/c1-8(2-5-9)3-6-10-7-4-8;1-5(2,3)6-4;3-1-5-2-4/h9H,2-7H2,1H3;1-4H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
0.8205877454245252	experimental value
1.816725738196275	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions)
0.9587371626078671	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions)