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:	N44
	Name:	hexane, 1-​propyl-​2,​3-​dimethylimidazolium tetrafluoroborate
	Description:	hexane [PM2Im]+[BF4]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H15N2.C6H14.BF4/c1-4-5-10-7-6-9(3)8(10)2;1-3-5-6-4-2;2-1(3,4)5/h6-7H,4-5H2,1-3H3;3-6H2,1-2H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
0.204	experimental value
1.135488545316258	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
0.3026660000000002	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)