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Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
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 3.0
Release year:
2 004
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: 174.24 g/mol
- Data temperature: 25 °C
- Water solubility: 1000000 g/m³ (BASF AG, 2001; SDS)
- Vapour pressure: 2.89E-04 Pa (@ 25 °C, calculated; MPBPVP v1.43 of EPI Suite v4.11)
- log Pow: -1.62 (measured @25°C and pH 9.4; BASF AG, 1989)
- Melting point: 133.5 °C (Phys Prop Database of EPI Suite v4.11)
- Henry´s law constant: 5.04E-08 Pa*m³/mol (Mackay Level I)
Environmental properties:
Volume Density Org. C Fish lipid
(m³) (kg/m³) (g/g) (g/g)
air 6.0E+09 1.21*
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

* 1.21 kg/m³ at data temperature of 20 °C; 1.19 at data temperature 25 °C

Results and discussion

Percent distribution in media

Water (%):
100

Any other information on results incl. tables

Over time, the uncharged substance will preferentially distribute into the compartment water (100%).

Applicant's summary and conclusion