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:	206
	Name:	1-Decanol
	Description:
	Labels:	Training
	CAS:	112-30-1
	InChi Code:	InChI=1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.6	experimental value
2.21	Eq1: Best externally predictive model (Training set)
2.21	Eq2: Full model, including all data (Training set)
3.66	Tab2-9: Correlation with logKow (Training set)
2.92	Tab2-10: Correlation with logSw (Training set)
3.29	Tab2-11: logKow and aromaticity (Training set)
2.66	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID7021946	US EPA CompTox Dashboard