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:	N1832
	Name:	heptane, octyl(diethyl)ammonium bis(trifluoromethylsulfonyl)imide
	Description:	heptane [OE3Am]+[(Tf)2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C14H32N.C7H16.C2F6NO4S2/c1-5-9-10-11-12-13-14-15(6-2,7-3)8-4;1-3-5-7-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-14H2,1-4H3;3-7H2,1-2H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
2.16	experimental value
1.750797122503505	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
2.129730060788705	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)