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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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

Constituent 1
Chemical structure
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

Applicant's summary and conclusion