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: Acceptable calculation method

Data source

Reference
Reference Type:
other: Mackay calculation
Title:
Unnamed
Year:
2013
Report Date:
2013

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level I Version 3.00
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Study design

Test substance input data:
The following physicochemical properties of the substance were used to calculate the distribution:

- Molar mass: 113.20 g/mol (1)
- Data temperature: 25 °C (1)
- Water solubility: 6000 g/m³ (4)
- Vapour pressure: 1696 Pa (2)
- log Pow: 1.89 (3)
- Melting point: -26.17°C (1)
- Henry´s law constant: 0.0555 Pa*m³/mol (4)

source:
(1) estimated data: EPISuite v4.11
(2) measured value (BASF AG 1987, report no. 187.1032.1)
(3) estimated value (WoE, see ch. 4.7)
(4) measured value (GESTIS Database, 2011)
(5) Mackay Level I v3.0
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 (%):
91.6
Water (%):
8.28
Soil (%):
0.051
Sediment (%):
0.051

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartments air (91.6%) and water (8.3%). However, as the model does not consider the ionic character of the molecule at environmental relevant pH conditions, the distribution into water may be underestimated by the model.

Applicant's summary and conclusion