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 3.0
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): CAS 65962-45-0
- 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: 266.47 g/mol
- Data temperature: 20 °C
- Water solubility: 620 g/m³ (1)
- Vapour pressure: 1.73E-03 Pa (2)
- log Pow: 3.00 (3)
- Melting point: -35.0 °C (4)
- Henry´s law constant: 7.44E-04 Pa*m³/mol (5)

source:
(1) Measured data, BASF, 2009. Order no. 09Y02016.
(2) Measured data, 20 °C; BASF, 2010. Study no. 10L00291.
(3) Calculated data, BASF SE, 2013. report no. 11L00284
(4) Measured data, BASF SE, 2009.BASF, 2009. Report no. 09Y02009.
(5) 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

Water (%):
86.2
Soil (%):
6.8
Sediment (%):
6.9

Any other information on results incl. tables

Over time, the uncharged substance will preferentially distribute into the compartments water (86.2%), soil (6.8%) and sediment (6.9%). 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 by the model.

Applicant's summary and conclusion