Registration Dossier
Registration Dossier
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EC number: 201-605-4 | CAS number: 85-43-8
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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Generally accepted calculation methods
Data source
Reference
- Reference Type:
- other: Calculation
- Title:
- THPA - Calculation of environmental distribution according to EPI Suite, Version 4.0; PC-Computer software developed by EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC).
- Author:
- Haynes G
- Year:
- 2 010
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPIWIN (v.4.0)
- Release year:
- 2 008
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 1,2,3,6-tetrahydrophthalic anhydride
- EC Number:
- 201-605-4
- EC Name:
- 1,2,3,6-tetrahydrophthalic anhydride
- Cas Number:
- 85-43-8
- Molecular formula:
- C8H8O3
- IUPAC Name:
- 1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.036
- Water (%):
- 32.8
- Soil (%):
- 67.1
- Sediment (%):
- 0.074
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-
Molecular Wt: 152.15
Henry's LC : 2.3e-009 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.000338 mm Hg (user-entered)
Liquid VP : 0.00193 mm Hg (super-cooled)
Melting Pt : 101 deg C (user-entered)
Log Kow : 1.29 (user-entered)
Soil Koc : 10 (KOCWIN MCI method)
|
Mass Amount |
Half-Life |
Emissions |
|
|
|
(percent) |
(hr) |
(kg/hr) |
|
|
Air |
0.0363 |
1.13 |
1000 |
|
|
Water |
32.8 |
360 |
1000 |
|
|
Soil |
67.1 |
720 |
1000 |
|
|
Sediment |
0.0739 |
3.24e+003 |
0 |
|
|
|
Fugacity |
Reaction |
Advection |
Reaction |
Advection |
|
(atm) |
(kg/hr) |
(kg/hr) |
(percent) |
(percent) |
Air |
9.55e-013 |
364 |
5.95 |
12.1 |
0.198 |
Water |
4.06e-014 |
1.03e+003 |
537 |
34.5 |
17.9 |
Soil |
1.71e-012 |
1.06e+003 |
0 |
35.3 |
0 |
Sediment |
3.69e-014 |
0.259 |
0.0242 |
0.00863 |
0.000807 |
Persistence Time: 546 hr
Reaction Time: 667 hr
Advection Time: 3.01e+003 hr
Percent Reacted: 81.9
Percent Advected: 18.1
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 1.133
Water: 360
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 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 found to be the major target compartments.
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