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:	N3995
	Name:	1-decene, 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
	Description:	1-decene [MBIm]+[Tf2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C10H20.C8H15N2.C2F6NO4S2/c1-3-5-7-9-10-8-6-4-2;1-3-4-5-10-7-6-9(2)8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3H,1,4-10H2,2H3;6-8H,3-5H2,1-2H3;/q;+1;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3.038	experimental value
2.861804794445225	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
3.078704654242443	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)