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:	N5352
	Name:	1,4-dioxane, 1-allyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
	Description:	1,4-dioxane [AllMIm]+[(Tf)2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H11N2.C4H8O2.C2F6NO4S2/c1-3-4-9-6-5-8(2)7-9;1-2-6-4-3-5-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3,5-7H,1,4H2,2H3;1-4H2;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3.575	experimental value
2.942491538782182	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
3.524859045784171	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)