Registration Dossier
Registration Dossier
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EC number: 201-052-9 | CAS number: 77-73-6
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Remarks:
- estimated by calculation
- Adequacy of study:
- key study
- Study period:
- up to 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, acceptable with restrictions
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- other: computer model
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPISuite v.4.0
- Release year:
- 2 008
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Reference substance 003
- Cas Number:
- 77-73-6
Constituent 1
- Specific details on test material used for the study:
- SMILES: C(C(C=CC12)C1)(C2C=C3)C3
CAS number: 77-73-6
Study design
- Test substance input data:
- N/A
- Environmental properties:
- N/A
Results and discussion
Percent distribution in media
- Air (%):
- 0.539
- Water (%):
- 57.1
- Soil (%):
- 39.5
- Sediment (%):
- 2.91
- Other distribution results:
- Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (h) (kg/h) Air 0.539 0.521 1000 Water 57.1 360 1000 Soil 39.5 720 1000 Sediment 2.91 3.24e+003 0 Persistence Time: 108 h
Any other information on results incl. tables
Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (h) (kg/h) Air 0.539 0.521 1000 Water 57.1 360 1000 Soil 39.5 720 1000 Sediment 2.91 3.24e+003 0 Persistence Time: 108 h
Applicant's summary and conclusion
- Conclusions:
- Results from the Level III fugacity model are:
Level III Fugacity Model
Mass Amount (%) Half-Life (hr) Emissions (kg/hr)
Air 0.539 0.521 1000
Water 57.1 360 1000
Soil 39.5 720 1000
Sediment 2.91 3240 0
Persistence time: 108 h - Executive summary:
EpiSuite v.4.0 has provided Level III fugacity model showing distribution of the substance. This method is considered adquate for assessment. Distribution of the substance is Air 0.5%, Water 57%, Soil 40%, Sediment 2.9%, with half life (hr) of air 0.5, water 360, soil 720 and sediment 3240.
The prediction is considered to fall within the model domain
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