Registration Dossier

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:
2010
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
Name:
Unnamed
Type:
Constituent
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)

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