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:	1497
	Name:	1,2-didodecyl benzene-1,2-dicarboxylate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Diisotridecyl phthalate
	Labels:
	CAS:	68515-47-9
	InChi Code:	InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.609174539	experimental value
0.3292	Tab2.Model_5: Metab. biotransf. fish (Training set)