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:	1789
	Name:	1,4-dibutyl benzene-1,4-dicarboxylate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Di-n-butylterephthalate
	Labels:
	CAS:	1962-75-0
	InChi Code:	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
5.67	experimental value
5.8163	Tab2.Model_1: P. promelas LC50 (Training set)