Toots, K. M.; Sild, S.; Leis, J.; Acree Jr., W. E.; Maran, U. Machine learning Quantitative Structure-Property Relationships as a function of ionic liquid cations for the gas-ionic liquid partition coefficient of hydrocarbons. Int. J. Mol. Sci. 2022, 23, 7534.

Compound

	ID:	N25
	Name:	2-Hydroxyethyl(dimethyl)isopropylammonium
	Description:	[EtOHM2iPAm]+
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H18NO/c1-7(2)8(3,4)5-6-9/h7,9H,5-6H2,1-4H3/q+1

Properties

logKc: Gas-ionic liquid partition coefficient of cyclohexane in [Tf2N]- ionic liquids

Value	Source or prediction
1.228	experimental value
1.122953534990738	MLRc-Eq24: Multiple Linear Regression model for logK of cyclohexane in [Tf2N]- ionic liquids (Training set)
1.226710174778684	SVRc: Support Vector Regression model for logK of cyclohexane in [Tf2N]- ionic liquids (Training set)

logKb: Gas-ionic liquid partition coefficient of benzene in [Tf2N]- ionic liquids

Value	Source or prediction
2.468	experimental value
2.52251935151478	MLRb-Eq25: Multiple Linear Regression model for logK of benzene in [Tf2N]- ionic liquids (Training set)
2.469403340522053	SVRb: Support Vector Regression model for logK of benzene in [Tf2N]- ionic liquids (Training set)