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:	N83
	Name:	propene, 1-butyl-3-methylimidazolium bis(pentafluoroethylsulfonyl)imide
	Description:	propene [BMIm]+[BETI]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H15N2.C4F10NO4S2.C3H6/c1-3-4-5-10-7-6-9(2)8-10;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-3-2/h6-8H,3-5H2,1-2H3;;3H,1H2,2H3/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
0.402	experimental value
1.173482393196259	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
0.4399100000000005	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)