Registration Dossier
Registration Dossier
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EC number: 212-836-5 | CAS number: 873-32-5
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:
- data from handbook or collection of data
Data source
Reference
- Reference Type:
- publication
- Title:
- BUA-Stoffbericht 265 - 2-Chlorbezonitril, 4-Chlorbenzonitril
- Author:
- n.a.
- Year:
- 2 006
- Bibliographic source:
- Beratergremium für Altstoffe (BUA) der Gesellschaft Deutscher Chemiker, S.Hirzel Wissenschaftliche Verlagsgesellschaft
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Mackay Level I v2.11
- Release year:
- 1 999
- Media:
- other: air - sediment - soil - water
Test material
- Reference substance name:
- 2-chlorobenzonitrile
- EC Number:
- 212-836-5
- EC Name:
- 2-chlorobenzonitrile
- Cas Number:
- 873-32-5
- Molecular formula:
- C7H4ClN
- IUPAC Name:
- 2-chlorobenzonitrile
- Reference substance name:
- unknown
- IUPAC Name:
- unknown
- Test material form:
- solid
Constituent 1
impurity 1
Results and discussion
Percent distribution in media
- Air (%):
- 31.9
- Water (%):
- 66.4
- Soil (%):
- 0.8
- Sediment (%):
- 0.8
Applicant's summary and conclusion
- Conclusions:
- 2-chlorobenzonitrile remains mainly in hydrosphere (67 %) and atmosphere (32 %). The distribution into soil and sediments (0.8 % each) is negligible.
- Executive summary:
The distribution of 2-chlorobenzonitrile into the environmental compartments air, water, soil, and sediment was modeled using the the Mackay Model Level I v.2.11 (1999). The folleing input parameter were used:
- Molecular weight: 137.57 g/mol
- log Kow (measured): 2.2
- Temperatur: 25 °C
- Water solubility (calculated): 0.6 g/L
- Vapour pressure: 0.06 hPa
Target compartments od 2-chlorobenzonitrile are hydrosphere (67 %) and atmosphere (32 %). The distribution into soil and sediments (0.8 % each) is negligible.
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