Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	2014
	Name:	butyl prop-2-enoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Butylacrylate
	Labels:
	CAS:	141-32-2
	InChi Code:	InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3

Properties

M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]

Value	Source or prediction
1.19	experimental value
1.4033	Tab2.Model_7: Esters D. magna EC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID6024676	US EPA CompTox Dashboard