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:	615
	Name:	Pentyl-N-phenylcarbamate
	Description:
	Labels:	Training
	CAS:	63075-06-9
	InChi Code:	InChI=1/C12H17NO2/c1-2-3-7-10-15-12(14)13-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14)/f/h13H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.6	experimental value
2.31	Eq1: Best externally predictive model (Training set)
2.35	Eq2: Full model, including all data (Training set)
3.17	Tab2-9: Correlation with logKow (Training set)
3.04	Tab2-10: Correlation with logSw (Training set)
3.12	Tab2-11: logKow and aromaticity (Training set)
3.01	Tab2-12: logSw and aromaticity (Training set)