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:	N4352
	Name:	2-pentanone, 1-butyl-3-methylimidazolium dicyanamide
	Description:	2-pentanone [BMIm]+[N(CN)2]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H15N2.C5H10O.C2N3/c1-3-4-5-10-7-6-9(2)8-10;1-3-4-5(2)6;3-1-5-2-4/h6-8H,3-5H2,1-2H3;3-4H2,1-2H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
3.17	experimental value
2.758984851618253	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
3.151919082253628	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)