Registration Dossier
Registration Dossier
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EC number: 201-602-8 | CAS number: 85-40-5
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- 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:
- 2 011
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- 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 substance name:
- 1,2,3,6-tetrahydrophthalimide
- EC Number:
- 201-602-8
- EC Name:
- 1,2,3,6-tetrahydrophthalimide
- Cas Number:
- 85-40-5
- Molecular formula:
- C8H9NO2
- IUPAC Name:
- 2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
- Details on test material:
- SMILES: O=C1NC(=O)C2C1CC=CC2
Constituent 1
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.
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