Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
US EPA. [2011]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 or insert version used]. United States Environmental Protection Agency, Washington, DC, USA. From
Level III Fugacity Model.
Calculations done with structures having different branching (number of terminal CH3), possible constituents of the substance.
See report.

Data source

Referenceopen allclose all

Reference Type:
other: EPIWIN calculation
Title:
Unnamed
Year:
2011
Report Date:
2015
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report Date:
2011

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPIsuite v4.00
Release year:
2 011
Media:
other: Air - Water - Soil - Sediment

Test material

Reference
Name:
Unnamed
Type:
Constituent

Study design

Test substance input data:
Input data: QSAR estimation by Level III Fugacity Model
- direct emissions to air and water at 1000 kg/h each are considered
- experimental Koc value entered

Results and discussion

Percent distribution in media

Air (%):
2
Water (%):
42
Soil (%):
0.04
Sediment (%):
56

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

=======================================

Chem Name :

Molecular Wt: 246.44

Henry's LC : 0.477 atm-m3/mole (Henrywin program)

Vapor Press : 0.00327 mm Hg (Mpbpwin program)

Log Kow : 7.65 (Kowwin program)

Soil Koc : 7.59e+004 (user-entered) NB: experimental value for BAB

   mass amount (%)  half-life (hr)  emissions (kg/hr)
 air 2.18   12.6  1000
 water  41.6  900  1000
 soil  0.0381  1.8e+003  0
 sediment  56.2  8.1e+003  0

Persistence Time: 452 hr

Reaction Time: 639 hr

Advection Time: 1.55e+003 hr

Percent Reacted: 70.8

Percent Advected: 29.2

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

Air: 12.62

Water: 900

Soil: 1800

Sediment: 8100

Biowin estimate: 2.602 (weeks-months)

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
The sediment is confirmed as the critical compartment in terms of exposure.