Registration Dossier
Registration Dossier
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EC number: 234-147-9 | CAS number: 10563-26-5
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:
- N,N'-bis(3-aminopropyl)ethylenediamine
- EC Number:
- 234-147-9
- EC Name:
- N,N'-bis(3-aminopropyl)ethylenediamine
- Cas Number:
- 10563-26-5
- Molecular formula:
- C8H22N4
- IUPAC Name:
- (3-aminopropyl)({2-[(3-aminopropyl)amino]ethyl})amine
- Details on test material:
- - Name of test material (as cited in study report): N,N'-bis(3-aminopropyl)ethylenediamine
- 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: 174.29 g/mol
- Data temperature: 25 °C
- Water solubility: 1000000 g/m³ (GESTIS database, 2011)
- Vapour pressure: 260 Pa (BASF SE, 2013; measured @25°C)
- log Pow: -1.55 (BASF AG, 1989. BRU89.034)
- Melting point: -5.0 (BASF SE, 2013)
- Henry´s law constant: 4.53E-02 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 (%):
- 1.5
- Water (%):
- 98.5
Any other information on results incl. tables
Over time, the uncharged substance will preferentially distribute into the compartment water (98.5%).
Applicant's summary and conclusion
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