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 57-10-3
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: 256 g/mol
- Data temperature: 25 °C
- Water solubility: 0.004 mg/L
- Vapour pressure: 0.00005 Pa
- Melting point: 61.8 °C
- log Kow: 7.00

Results and discussion

Percent distribution in media

Air (%):
0.069
Water (%):
0.062
Soil (%):
49.4
Sediment (%):
50
Susp. sediment (%):
0.321
Biota (%):
0.031
Aerosol (%):
0.072

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 0.000000045 0.0692
Aerosol 20900000 2510000 2338 0.0718
Water 0.313 2190000 0.0000349 0.0625
Suspended particles 321000 11200000 35.8 0.321
Fish 156000 1090000 17.4 0.0313
Soil 38438 1730000000 4.29 49.4
Sediment 83281 1750000000 9.30 50.0
Total  - 3500000000  - 100

Fugacity: 0.000112 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