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:	N5
	Name:	1-Butyl-2,3-dimethylimidazolium
	Description:	[BM2Im]+
	Labels:
	CAS:
	InChi Code:	InChI=1S/C9H17N2/c1-4-5-6-11-8-7-10(3)9(11)2/h7-8H,4-6H2,1-3H3/q+1

Properties

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

Value	Source or prediction
1.734	experimental value
1.690314962768491	MLRc-Eq24: Multiple Linear Regression model for logK of cyclohexane in [Tf2N]- ionic liquids (Training set)
1.793438330361115	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
2.828	experimental value
2.860099080086687	MLRb-Eq25: Multiple Linear Regression model for logK of benzene in [Tf2N]- ionic liquids (Training set)
2.828794646995088	SVRb: Support Vector Regression model for logK of benzene in [Tf2N]- ionic liquids (Training set)