Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
other: read-across from supporting substance (structural analogue or surrogate); estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Reference
Reference Type:
other: Mackay Level I calculation
Title:
Unnamed
Year:
2011
Report Date:
2011

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:
- Molecular formula (if other than submission substance): here: C26H55N (CAS 57157-80-9)
- Other: representative molecule of the main fraction (C26H55N1) of the mixture di-tridecylamine, branched and linear

Study design

Test substance input data:
The following physico-chemical properties of the substance were used to calculate the distribution:
- molecular mass:    381.74 g/mol (1)
- data temperature: 20 °C
- log Kow:          7.67 (2)
- water-solubility: 0.03 g/m³ (3)
- Henry´s law constant: 1.27 Pa*m³/mol (4)
- vapour pressure: 1.0E-04 Pa (3)
- melting point: -100 °C (3)

source:
(1) EpiWin v4.10
(2) BASF (2011), calculated value for charged molecule (at pH 7)
(3) BASF (2011), experimental values (Report No. 10L00315)
(4) Calculated by Mackay L I programme
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

Results and discussion

Percent distribution in media

Air (%):
0.006
Water (%):
0.013
Soil (%):
49.5
Sediment (%):
50.1
Susp. sediment (%):
0.322
Biota (%):
0.031
Aerosol (%):
0.007

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartments soil (49.5%) and sediment (50.1%).



Applicant's summary and conclusion