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:	N2186
	Name:	dichloromethane, 1,2,3-tris(diethylamino)cyclopropenylium bis(trifluoromethylsulfonyl)imide
	Description:	dichloromethane [TDC]+[Tf2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C15H30N3.C2F6NO4S2.CH2Cl2/c1-7-16(8-2)13-14(17(9-3)10-4)15(13)18(11-5)12-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;2-1-3/h7-12H2,1-6H3;;1H2/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
2.333490351049988	experimental value
2.419217574530879	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions)
2.275480020707081	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions)