Registration Dossier

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 57-11-4
Author:
Dr. Knoell consult GmbH
Year:
2010
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
Name:
Unnamed
Type:
Constituent
Details on test material:
- Chemical Type: 1
- Molecular weight: 284.6 g/mol
- Data temperature: 25 °C
- Water solubility: 0.597 mg/L
- Vapour pressure: 0.00005 Pa
- Melting point: 68.8 °C
- log Kow: 7.00

Results and discussion

Percent distribution in media

Air (%):
0.001
Water (%):
0.063
Soil (%):
49.5
Sediment (%):
50.1
Susp. sediment (%):
0.322
Biota (%):
0.031
Aerosol (%):
0

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 0.000000000302 0.000516
Aerosol 17900000 2140000 13.4 0.000457
Water 42.0 294000000 0.0000314 0.0626
Suspended particles 43100000 1510000000 32.3 0.322
Fish 21000000 14700000000 15.7 0.0313
Soil 5160000 232000000000 3.87 49.5
Sediment 11200000 235000000000 8.38 50.1
Total  - 469000000000  - 100

Fugacity: 0.000000749 Pa

Based on the level I modell the majority of the substance is calculated to partition into soil and sediment.

Applicant's summary and conclusion