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:	N1289
	Name:	octane, 1-ethyl-3-methylimidazolium tetracyanoborate
	Description:	octane [MEIm]+[B(CN)4]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H18.C6H11N2.C4BN4/c1-3-5-7-8-6-4-2;1-3-8-5-4-7(2)6-8;6-1-5(2-7,3-8)4-9/h3-8H2,1-2H3;4-6H,3H2,1-2H3;/q;+1;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.861	experimental value
1.888394725478453	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.95528133142632	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)