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: Scientifically acceptable method

Data source

Reference
Reference Type:
other: Mackay Level I calculation
Title:
Unnamed
Year:
2015
Report Date:
2015

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level I Version 3.0
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): Acetic acid, cyano-, 2-ethylhexyl ester

Study design

Test substance input data:
- Molar mass: 197.28 g/mol (EpiWin)
- Data temperature: 20 °C (EpiWin)
- Water solubility: 102 mg/L (EpiWin)
- Vapour pressure: 0.341 Pa (EpiWin)
- log Pow: 3.6 (EpiWin)
- Melting point: 43.56 °C (EpiWin)
Environmental properties:
Volume Density Org. C Fish lipid
(m³) (kg/m³) (g/g) (g/g)
air 6.0E+09 1.19
water 7.0E+06 1000
soil 45000 1500 0.02
sediment 21000 1300 0.05
susp. part. 35.0 1500 0.167
fish 7.0 1000 0.05
aerosole 0.120 1500

Results and discussion

Percent distribution in media

Air (%):
12.4
Water (%):
53.6
Soil (%):
16.9
Sediment (%):
17
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartments water (53.6%), sediment (17%), soil (16.9%) and air (12.4%).

The data refer to the uncharged molecule (pKa value: 10.50). Since the substance will be ionized under environmentally relevant conditions, the distribution into water may be underestimated.

Applicant's summary and conclusion