Registration Dossier
Registration Dossier
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EC number: 203-462-3 | CAS number: 107-10-8
Distribution modelling
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:
- 2 013
- 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 substance name:
- Propylamine
- EC Number:
- 203-462-3
- EC Name:
- Propylamine
- Cas Number:
- 107-10-8
- Molecular formula:
- C3H9N
- IUPAC Name:
- propan-1-amine
Constituent 1
Study design
- Test substance input data:
- The following physicochemical properties of the substance were used to calculate the distribution:
- Molar mass: 59.11 g/mol
- Data temperature: 20 °C
- Water solubility: 1000000 g/m³ (BASF AG, 1987)
- Vapour pressure: 33000 Pa (@ 20 °C; BASF AG, 1987)
- log Pow: 0.28 (measured @23°C; BASF AG, 1987)
- Melting point: -83.0 °C (Merck, 1996)
- Henry´s law constant: 1.95 Pa*m³/mol (Mackay Level I) - 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
* 1.21 kg/m³ at data temperature of 20 °C; 1.19 at data temperature 25 °C
Results and discussion
Percent distribution in media
- Air (%):
- 40.7
- Water (%):
- 59.3
Any other information on results incl. tables
Over time, the uncharged substance will preferentially distribute into the compartments water (59.3%) and air (40.7%). However, since the model consideres the uncharged molecule, the distribution into water may be underestimated. The substance will primarily exist as a cation (pKa 10.68).
Applicant's summary and conclusion
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