Registration Dossier

Environmental fate & pathways

Distribution modelling

Currently viewing:

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting 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:
2014
Report Date:
2014

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level I Version 3.00
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Analytical purity: pure substance

Study design

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

- Molar mass: 185.36 g/mol (EPI Suite v4.11)
- Data temperature: 20°C (in accordance with vapour pressure)
- Water solubility: 80.0 g/m³ (OXEA, 2009)
- Vapour pressure: 18.0 Pa (BASF AG, 2000)
- log Pow: 3.34 (OXEA, 2010)
- Melting point: -90°C (OXEA, 2010)
- Henry´s law constant: 41.7 Pa*m³/mol (calculated by Mackay Level I program)
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 (%):
6.2
Soil (%):
1.1
Sediment (%):
1.1

Any other information on results incl. tables

Over time, the uncharged substance will preferentially distribute into the compartments air (91.6%) and water (6.2%). However, as the model does not consider the ionic character of the molecule at environmental relevant pH condition, the distribution into water may be underestimated.

Applicant's summary and conclusion