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:	1520
	Name:	1,2-bis(9-methyldecyl) benzene-1,2-dicarboxylate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Diisoundecyl phthalate
	Labels:
	CAS:	85507-79-5
	InChi Code:	InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.599174539	experimental value
0.2438	Tab2.Model_5: Metab. biotransf. fish (Training set)