Registration Dossier
Registration Dossier
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EC number: 203-445-0 | CAS number: 106-94-5
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Study period:
- not reported
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Derived using calculation method software which has been validated for organic substances.
Data source
Reference
- Reference Type:
- other: Estimation software
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite v4.00
- Release year:
- 2 008
- Media:
- other: air, water, soil, sediment
Test material
- Reference substance name:
- 1-bromopropane
- EC Number:
- 203-445-0
- EC Name:
- 1-bromopropane
- Cas Number:
- 106-94-5
- Molecular formula:
- CH3CH2CH2Br
- IUPAC Name:
- 1-bromopropane
- Details on test material:
- SMILES used for model: BrCCC
Chemical-specific properties used as model parameters were:
Chem Name : Propane, 1-bromo-
Molecular Wt: 122.99 g/mol
Henry's LC : 0.00732 atm-m3/mole (Henry database)
Vapor Press : 111 mm Hg (user-entered)
Log Kow : 2.1 (user-entered)
Soil Koc : 39.6 (KOCWIN MCI method)
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 44.1
- Water (%):
- 45.7
- Soil (%):
- 10.1
- Sediment (%):
- 0.159
Any other information on results incl. tables
Air: half life = 218 hr, emissions = 1000 kg/hr
Water: half life = 360 hr, emissions = 1000 kg/hr
Soil: half life = 720 hr, emissions = 1000 kg/hr
Sediment: half life = 3.24 x 103 hr, emissions = 0 kg/hr
Overall Persistence time = 138 hr
Applicant's summary and conclusion
- Conclusions:
- The Level III Fugacity model contained within EPISuite v4.0 gives the following estimates regarding the distribution and half life of the test material in the following media:
Air: mass amount: 44.1 %, half life = 218 hr, emissions = 1000 kg/hr
Water: mass amount: 45.7 %, half life = 360 hr, emissions = 1000 kg/hr
Soil: mass amount: 10.1 %, half life = 720 hr, emissions = 1000 kg/hr
Sediment: mass amount: 0.159 %, half life = 3.24 x 10^3 hr, emissions = 0 kg/hr
Overall Persistence time = 138 hr - Executive summary:
The Level III Fugacity model contained within EPISuite v4.0 gives the following estimates regarding the distribution and half life of the test material in the following media:
Air: mass amount: 44.1 %, half life = 218 hr, emissions = 1000 kg/hr
Water: mass amount: 45.7 %, half life = 360 hr, emissions = 1000 kg/hr
Soil: mass amount: 10.1 %, half life = 720 hr, emissions = 1000 kg/hr
Sediment: mass amount: 0.159 %, half life = 3.24 x 103 hr, emissions = 0 kg/hr
Overall Persistence time = 138 hr
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