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:	N699
	Name:	2,2,4-trimethylpentane, 1-ethyl-3-methylimidazolium tetracyanoborate
	Description:	2,2,4-trimethylpentane [MEIm]+[B(CN)4]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H18.C6H11N2.C4BN4/c1-7(2)6-8(3,4)5;1-3-8-5-4-7(2)6-8;6-1-5(2-7,3-8)4-9/h7H,6H2,1-5H3;4-6H,3H2,1-2H3;/q;+1;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.458	experimental value
1.450453511918987	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.536120805126789	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)