Papa, E.; Villa, F.; Gramatica, P. Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). J. Chem. Inf. Model. 2005, 45, 5, 1256–1266.

Compound

	ID:	57
	Name:	Diethyl phthalate
	Description:
	Labels:
	CAS:	84-66-2
	InChi Code:	InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

Properties

pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]

Value	Source or prediction
3.845	experimental value
4.201	Eq9: General validated correlation, logP free (Validation set)

Links to External Resources

Link	Resource description
DTXSID7021780	US EPA CompTox Dashboard