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:	N999
	Name:	tert-butyl methyl ether, 4-methyl-n-butylpyridinium tetrafluoroborate
	Description:	tert-butyl methyl ether [4-MBPy]+[BF4]-
	Labels:
	CAS:
	InChi Code:	InChI=1S/C10H16N.C5H12O.BF4/c1-3-4-7-11-8-5-10(2)6-9-11;1-5(2,3)6-4;2-1(3,4)5/h5-6,8-9H,3-4,7H2,1-2H3;1-4H3;/q+1;;-1

Properties

logK: Gas-ionic liquid partition coefficient

Value	Source or prediction
1.687	experimental value
2.006461799307423	MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions)
1.72327044080378	RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions)