Registration Dossier
Registration Dossier
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EC number: 200-834-7 | CAS number: 75-04-7
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:
- accepted calculation method
- Justification for type of information:
- 1. SOFTWARE
see Mackay, D. 2001. "Multimedia Environmental Models: The Fugacity Approach - Second Edition", Lewis Publishers, Boca Raton, pp. 1-261.
2. MODEL (incl. version number)
Mackay Level I v3.00
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
- molar mass
- temperature
- water solubility
- vapor pressure
- melting point
- log kow
4. SCIENTIFIC VALIDITY OF THE MODEL
For details see Mackay, D. (2001); Mackay et al. (1996)
5. APPLICABILITY DOMAIN
For details see Mackay, D. (2001); Mackay et al. (1996)
6. ADEQUACY OF THE RESULT
A Level I calculation is not required under REACh but gives a general impression of the likely media into which a chemical will tend to partition and an indication of relative concentrations in each medium.
Data source
Reference
- Reference Type:
- other: Mackay
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
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:
- Ethylamine
- EC Number:
- 200-834-7
- EC Name:
- Ethylamine
- Cas Number:
- 75-04-7
- Molecular formula:
- C2H5NH2
- IUPAC Name:
- ethanamine
Constituent 1
Study design
- Test substance input data:
- - Molar mass: 45.08 g/mol
- Data temperature: 25 °C (Daubert T.E et.al.,HSDB databank, 1989)
- Water solubility: 1E+06 mg/L (Gestis databank, 2009)
- Vapour pressure: 1.4E+05 Pa (Daubert T.E et.al.,HSDB databank, 1989)
- log Pow: -0.13 (Kurihara N. et. al., Pest. Biochem. And Physiol. 2, 1973)
- Melting point: -81.2 °C (Beilstein databank, reg. no.: 505933, 2007) - Environmental properties:
- see "Any other information on materials and methods incl. tables"
Results and discussion
Percent distribution in media
- Air (%):
- 68.5
- Water (%):
- 31.5
Any other information on results incl. tables
Over time, the substance will preferentially distribute into the compartment air (68.5%) and slightly into the compartment water (31.5%).
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: 10.41, SPARC On-Line Calculator, 2019)
Applicant's summary and conclusion
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Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
