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EC number: 204-669-1 | CAS number: 123-99-9
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: Accepted calculation method
Data source
Reference
- Reference Type:
- other: Mackay level I calculation
- Title:
- Distribution modelling of CAS 123-99-9
- Author:
- Dr. Knoell consult GmbH
- Year:
- 2 010
- Bibliographic source:
- Level 1 Fugacity-Based Environmental Equilibrium Partitioning Model, Trent University (2004), V3.00. Based on: Mackay, D. 2001. Multimedia Environmental Models: The Fugacity Approach-Second Edition. Lewis Publishers., Boca Raton, pp. 1-261
- Report date:
- 2010
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Level 1 - Fugacity-Based Environmental Equilibrium Partitioning Model (Trent University (2004), v3.00)
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Azelaic acid
- EC Number:
- 204-669-1
- EC Name:
- Azelaic acid
- Cas Number:
- 123-99-9
- Molecular formula:
- C9H16O4
- IUPAC Name:
- azelaic acid
- Details on test material:
- - Chemical Type: 1
- Molecular weight: 188.23 g/mol
- Data temperature: 25 °C
- Water solubility: 107 mg/L
- Vapour pressure: 0.000002 Pa
- Melting point: 106.5 °C
- log Kow: 1.70
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 99.2
- Soil (%):
- 0.393
- Sediment (%):
- 0.398
- Susp. sediment (%):
- 0.003
- Biota (%):
- 0
- Aerosol (%):
- 0.001
Any other information on results incl. tables
Table 1: Distribution of octanoic acid in the environment
| Compartment | Z Value [mol/m³ Pa] | VZ [mol/pa] | Concentration [mol/m³] | Amount [%] |
| Air | 0.000403 | 2420000 | 0.000000000107 | 0.000121 |
| Aerosol | 189000000 | 22700000 | 50.1 | 0.00113 |
| Water | 284000 | 1990000000000 | 0.0753 | 99.2 |
| Suspended particles | 1460000 | 51200000 | 0.388 | 0.00255 |
| Fish | 712000 | 4990000 | 0.189 | 0.000249 |
| Soil | 175000 | 7880000000 | 0.0464 | 0.0393 |
| Sediment | 380000 | 7970000000 | 0.101 | 0.398 |
| Total | - | 2010000000000 | - | 100 |
Fugacity: 0.000000265 Pa
Based on the level I modell the majority of the substance is calculated to partition into the water phase.
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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