Registration Dossier
Registration Dossier
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EC number: 203-058-7 | CAS number: 102-82-9
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting 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 3.00
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Tributylamine
- EC Number:
- 203-058-7
- EC Name:
- Tributylamine
- Cas Number:
- 102-82-9
- Molecular formula:
- C12H27N
- IUPAC Name:
- tributylamine
- Details on test material:
- - Analytical purity: pure substance
Constituent 1
Study design
- Test substance input data:
- The following physicochemical properties of the substance were used to calculate the distribution:
- Molar mass: 185.36 g/mol (EPI Suite v4.11)
- Data temperature: 20°C (in accordance with vapour pressure)
- Water solubility: 80.0 g/m³ (OXEA, 2009)
- Vapour pressure: 18.0 Pa (BASF AG, 2000)
- log Pow: 3.34 (OXEA, 2010)
- Melting point: -90°C (OXEA, 2010)
- Henry´s law constant: 41.7 Pa*m³/mol (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
- Air (%):
- 91.6
- Water (%):
- 6.2
- Soil (%):
- 1.1
- Sediment (%):
- 1.1
Any other information on results incl. tables
Over time, the uncharged substance will preferentially distribute into the compartments air (91.6%) and water (6.2%). 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.
Applicant's summary and conclusion
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