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:
2014
Report Date:
2014

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
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): 1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-

Study design

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

- Molar mass: 353.68 g/mol
- Data temperature: 25 °C
- Water solubility: 0.002 g/m³ (measured; BASF SE, 2010; report no. 09L00246)
- Vapour pressure: 5.11E-04 Pa (@ 20 °C; measured; BASF SE, 2010; no. 09L00246)
- log Pow: 10.13 (estimated; KOWWIN v1.68; EPISuite v4.11; BASF SE, 2014)
- Melting point: -94 °C (observed glass transition; BASF SE, 2010; report no. 09L00246)
- Henry´s law constant: 90.4 Pa*m³/mol (calculated using vapour pressure and water solubility; as the substance's water solubility is < 1mol/L, the calculation method is suitable to determine the Henry's Law constant, see IUCLID Ch. 5.4.2)
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 (%):
0.002
Water (%):
0
Soil (%):
49.5
Sediment (%):
50.1
Susp. sediment (%):
0.322
Biota (%):
0.03
Aerosol (%):
0

Any other information on results incl. tables

Over time, the uncharged substance will preferentially distribute into the compartments sediment (50.1%) and soil (49.1%).

(calculation refers to te uncharged molecule)

Applicant's summary and conclusion