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
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): 929-06-6
- Analytical purity: pure substance

Study design

Test substance input data:
- Molar mass: 105.14 g/mol (EPISuite v4.11)
- Data temperature: 20 °C
- Water solubility: 1.00E+06 mg/L (HSDB, 2014)
- Vapour pressure: 1.42 Pa (BASF AG, 1982; report: BRU82.23)
- log Pow: -1.89 (KOWWIN v1.68; EPISuite v4.11)
- Melting point: -12.5 °C (@1013.25 hPa, HSDB 2014)
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 (%):
0
Water (%):
100
Soil (%):
0
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartment water (100%); the data refer to the uncharged molecule (pKa value: 9.25). However, since the substance will be ionized under environmentally relevant conditions, the distribution into water may still be underestimated.

Applicant's summary and conclusion