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:	1499
	Name:	1,2-bis(8-methylnonyl) benzene-1,2-dicarboxylate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Diisodecyl phthalate
	Labels:
	CAS:	68515-49-1
	InChi Code:	InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.469174539	experimental value
0.154	Tab2.Model_5: Metab. biotransf. fish (Training set)