Bis(2-ethylhexyl) adipate

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Validated QSAR model

Data source

Reference

Reference Type:

other: calculation

Title:

Unnamed

Year:

2014

Report date:

2014

Materials and methods

Model:

calculation according to Mackay, Level I

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

Bis(2-ethylhexyl) adipate

EC Number:

203-090-1

EC Name:

Bis(2-ethylhexyl) adipate

Cas Number:

103-23-1

Molecular formula:

C22H42O4

IUPAC Name:

bis(2-ethylhexyl) adipate

Details on test material:

- Name of test material (as cited in study report): Hexanedioic acid, bis(2-ethylhexyl) ester
- Molecular formula (if other than submission substance): C22H42O4
- Molecular weight (if other than submission substance): 370.58
- Smiles notation (if other than submission substance): O=C(OCC(CCCC)CC)CCCCC(=O)OCC(CCCC)CC
- Analytical purity: not applicable

Results and discussion

Percent distribution in media

Air (%):

0.088

Water (%):

0

Soil (%):

97.3

Sediment (%):

2.16

Susp. sediment (%):

0.068

Biota (%):

0.005

Aerosol (%):

0.354

Any other information on results incl. tables

	Z-value [mol/m3*Pa]	VZ [mol/pa]	Concentration [mol/m3]	Amount [mol]
Air	4.03E-4	4.03E10	2.39E-12	239
Aerosol	8.07E7	1.61E11	0.477	954
Water	2.88E-4	5.76E7	1.7E-12	0.34
Suspended particles	30836	3.08E10	1.82E-4	182
Fish	12535	2.51E9	7.41E-5	14.8
Soil	4934	4.44E13	2.92E-5	2.63E5
Sediment	9867	9.87E11	5.84E-5	5836
Total		4.56E13		2.7E5