Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

	ID:	597
	Name:	Isophorone
	Description:
	Labels:	validation, Other_compounds
	CAS:	78-59-1
	InChi Code:	InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

Value	Source or prediction
1.4	experimental value
1.95	Eq1: Linear correlation with logP (Validation set)
1.95	Eq2: Non-linear regression model (Validation set)
1.95	Eq3: Non-linear regression model with correction factors (Validation set)

Links to External Resources

Link	Resource description
DTXSID8020759	US EPA CompTox Dashboard