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:	N5737
	Name:	2-butanol, n-butyl-n-methylpyrrolidinium dicyanamide
	Description:	2-butanol [BMPyrr]+[N(CN)2]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C9H20N.C4H10O.C2N3/c1-3-4-7-10(2)8-5-6-9-10;1-3-4(2)5;3-1-5-2-4/h3-9H2,1-2H3;4-5H,3H2,1-2H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3.771583031804526	experimental value
3.262995498269789	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
3.666562747276724	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)