Registration Dossier
Registration Dossier
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EC number: 217-461-0 | CAS number: 1860-26-0
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- 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:
- 2 014
- 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 substance name:
- 2-ethyl-N,N-bis(2-ethylhexyl)hexylamine
- EC Number:
- 217-461-0
- EC Name:
- 2-ethyl-N,N-bis(2-ethylhexyl)hexylamine
- Cas Number:
- 1860-26-0
- Molecular formula:
- C24H51N
- IUPAC Name:
- tris(2-ethylhexyl)amine
Constituent 1
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) - 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 substance will preferentially distribute into the compartment sediment (50.1%) and into the compartment soil (49.5%). The substance will be slightly distribute into the compartments biota (0.03%), suspended sediment (0.3%) and air (0.02%). The substance will be ionized at lower environmentally pH, so the distribution into water may be appropriate. The data refer to the uncharged molecule (calculated pKa value: 10.4, SPARC On-Line Calculator)
Applicant's summary and conclusion
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