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:	1126
	Name:	(2R)-2-ethylhexyl bis[(2S)-2-ethylhexyl] phosphate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosphoric acid. tris(2-ethylhexyl) ester
	Labels:
	CAS:	78-42-2
	InChi Code:	InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3/t22-,23-,24+/m0/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.294174539	experimental value
-0.1401	Tab2.Model_5: Metab. biotransf. fish (Training set)