Registration Dossier
Registration Dossier
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EC number: 229-713-7 | CAS number: 6674-22-2
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:
- 2 017
- Report date:
- 2017
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:
- 1,8-diazabicyclo[5.4.0]undec-7-ene
- EC Number:
- 229-713-7
- EC Name:
- 1,8-diazabicyclo[5.4.0]undec-7-ene
- Cas Number:
- 6674-22-2
- Molecular formula:
- C9H16N2
- IUPAC Name:
- 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
Constituent 1
Study design
- Test substance input data:
- The following physicochemical properties of the substance were used to calculate the distribution:
- Molar mass: 152.24 g/mol
- Data temperature: 25 °C
- Water solubility: 1.0E+06 g/m³ (measured @23°C; BASF, 2013; report no. 11L00314)
- Vapour pressure: 2.67 Pa (@ 25 °C, measured; BASF AG, 2013; report no. 11L00314)
- log Pow: -2.2 (@25°C, pH 7.0; BASF AG, 1989; report no. 110187/01)
- Melting point: 40.59°C (MPBPVP v1.43 of EPI Suite v4.10)
- Henry´s law constant: 4.06E-04 Pa*m³/mol (calculated by 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
- Water (%):
- 100
Any other information on results incl. tables
Over time, the uncharged substance will preferentially distribute into the compartment water (100%).
Applicant's summary and conclusion
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