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:	N757
	Name:	1-hexene, 1-butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
	Description:	1-hexene [BM2Im]+[(Tf)2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C9H17N2.C6H12.C2F6NO4S2/c1-4-5-6-11-8-7-10(3)9(11)2;1-3-5-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-8H,4-6H2,1-3H3;3H,1,4-6H2,2H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.517	experimental value
1.487817985625351	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.510325297895019	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)