Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
October 09, 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Estimation method using accepted calculation method.

Data source

Referenceopen allclose all

Reference Type:
other: software
Title:
Unnamed
Year:
2011
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPI Suite v4.10
Release year:
2 011
Media:
other: air - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES: O=C1NC(=O)C2C1CC=CC2

Study design

Test substance input data:
Melting Point (exp.): 135.7 deg C
Log Kow (exp.): -0.14

Results and discussion

Percent distribution in media

Air (%):
0.1
Water (%):
34.2
Soil (%):
65.6
Sediment (%):
0.09

Any other information on results incl. tables

---------------- Level III Fugacity Model (Full-Output) ----------------

 

Compound Being Estimated:

 Chem Name: 1,2,3,6-tetrahydrophthalimide

 Molecular Wt: 151.17

 Henry's LC: 3.05e-008 atm-m3/mole (Henrywin program)

 Vapor Press: 3.36e-005 mm Hg (Mpbpwin program)

 Liquid VP: 0.000418 mm Hg (super-cooled)

 Melting Pt: 136 deg C (user-entered)

 Log Kow: -0.14 (user-entered)

 Soil Koc: 20 (KOCWIN MCI method)

  

 

Mass Amount (%)

Half-Life (hr)

Emissions (kg/hr)

Air

0.099

0.969

1000

Water

34.2

360

1000

Soil

65.6

720

1000

Sediment

0.0914

3240

0

 

 

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (%)

Advection (%)

Air

2.04e-012

903

12.6

30.1

0.421

Water

4.41e-013

842

437

28.1

14.6

Soil

1.2e-011

805

0

26.8

0

Sediment

3.98e-013

0.25

0.0233

0.00832

0.000778

 

 

Persistence Time

425 hr

Reaction Time

501 hr

Advection Time

2840 hr

Percent Reacted

85

Percent Advected

15

 

 

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

Air

0.9694

Water

360

Soil

720

Sediment

3240

Biowin estimate

2.865 (weeks)

 

Advection Times

(hr)

Air

100

Water

1000

Sediment

50000

Applicant's summary and conclusion

Conclusions:
Distribution in environmental compartments has been calculated using a Fugacity model according to Mackay, Level III. Soil and water were then found to be the major target compartments.
Executive summary:

Distribution in environmental compartments has been calculated using a Fugacity model according to Mackay, Level III. Soil and water were then found to be the major target compartments.