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:	267
	Name:	trans-1,2-Dichloroethene
	Description:
	Labels:	Validation
	CAS:	156-60-5
	InChi Code:	InChI=1/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.8	experimental value
1.39	Eq1: Best externally predictive model (Validation set)
1.55	Eq2: Full model, including all data (Training set)
2.1	Tab2-9: Correlation with logKow (Validation set)
1.83	Tab2-10: Correlation with logSw (Validation set)
1.81	Tab2-11: logKow and aromaticity (Validation set)
1.63	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID7024031	US EPA CompTox Dashboard