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:	N4812
	Name:	nitromethane, decyl(trimethyl)ammonium bis(trifluoromethylsulfonyl)imide
	Description:	nitromethane [DM3Am]+[(Tf)2N]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C13H30N.C2F6NO4S2.CH3NO2/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-2(3)4/h5-13H2,1-4H3;;1H3/q+1;-1;

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3.356	experimental value
3.407605859075101	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
3.328627007270063	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)