Gramatica, P.; Giani, E.; Papa, E. Statistical external validation and consensus modeling: A QSPR case study for Koc prediction. J. Mol. Graph. Model. 2007, 25, 6, 755–766.

Compound

	ID:	202
	Name:	1-Hexanol
	Description:
	Labels:	Training
	CAS:	111-27-3
	InChi Code:	InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1	experimental value
1.17	Eq1: Best externally predictive model (Training set)
1.19	Eq2: Full model, including all data (Training set)
2.08	Tab2-9: Correlation with logKow (Training set)
1.7	Tab2-10: Correlation with logSw (Training set)
1.8	Tab2-11: logKow and aromaticity (Training set)
1.51	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID8021931	US EPA CompTox Dashboard