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EC number: 212-161-6 | CAS number: 766-09-6
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 3.00
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 1-ethylpiperidine
- EC Number:
- 212-161-6
- EC Name:
- 1-ethylpiperidine
- Cas Number:
- 766-09-6
- Molecular formula:
- C7H15N
- IUPAC Name:
- 1-ethylpiperidine
Constituent 1
Study design
- Test substance input data:
- The following physicochemical properties of the substance were used to calculate the distribution:
- Molar mass: 113.20 g/mol (1)
- Data temperature: 25 °C (1)
- Water solubility: 6000 g/m³ (4)
- Vapour pressure: 1696 Pa (2)
- log Pow: 1.89 (3)
- Melting point: -26.17°C (1)
- Henry´s law constant: 0.0555 Pa*m³/mol (4)
source:
(1) estimated data: EPISuite v4.11
(2) measured value (BASF AG 1987, report no. 187.1032.1)
(3) estimated value (WoE, see ch. 4.7)
(4) measured value (GESTIS Database, 2011)
(5) Mackay Level I v3.0 - 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 (%):
- 8.28
- Soil (%):
- 0.051
- Sediment (%):
- 0.051
Any other information on results incl. tables
Over time, the substance will preferentially distribute into the compartments air (91.6%) and water (8.3%). However, as the model does not consider the ionic character of the molecule at environmental relevant pH conditions, the distribution into water may be underestimated by the model.
Applicant's summary and conclusion
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