Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 204-612-0 | CAS number: 123-25-1
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Study period:
- March 26, 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- See the attached justification.
Data source
Referenceopen allclose all
- Reference Type:
- other: software
- Title:
- Unnamed
- Year:
- 2 012
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite v4.11
- Release year:
- 2 012
- Media:
- other: air - water - soil - sediment
Test material
- Reference substance name:
- Diethyl succinate
- EC Number:
- 204-612-0
- EC Name:
- Diethyl succinate
- Cas Number:
- 123-25-1
- Molecular formula:
- C8H14O4
- IUPAC Name:
- 1,4-diethyl butanedioate
Constituent 1
Study design
- Test substance input data:
- SMILES: CCOC(=O)CCC(=O)OCC
Vapour Pressure (lit.): 0.0439 mm Hg
Log Kow (exp.): 1.4
Henry LC (calc.): 4.60E-06 atm-m3/mole
Koc, soil (calc.): 21.2 L/Kg
Results and discussion
Percent distribution in media
- Air (%):
- 4.73
- Water (%):
- 34.2
- Soil (%):
- 61
- Sediment (%):
- 0.093
Any other information on results incl. tables
---------------- Level III Fugacity Model (Full-Output) ----------------
Compound Being Estimated:
Chem Name: diethyl succinate
Molecular Wt: 174.2
Henry's LC: 4.6e-006 atm-m3/mole (user-entered)
Vapor Press: 0.0439 mm Hg (Mpbpwin program)
Log Kow: 1.4 (user-entered)
Soil Koc: 21.2 (user-entered)
|
Mass Amount (%) |
Half-Life (hr) |
Emissions (kg/hr) |
Air |
4.73 |
95.4 |
1000 |
Water |
34.2 |
360 |
1000 |
Soil |
61 |
720 |
1000 |
Sediment |
0.0929 |
3240 |
0 |
|
Fugacity (atm) |
Reaction (kg/hr) |
Advection (kg/hr) |
Reaction (%) |
Advection (%) |
Air |
8.28e-011 |
429 |
591 |
14.3 |
19.7 |
Water |
5.63e-011 |
821 |
427 |
27.4 |
14.2 |
Soil |
1.38e-009 |
733 |
0 |
24.4 |
0 |
Sediment |
5.07e-011 |
0.248 |
0.0232 |
0.00827 |
0.000773 |
Persistence Time |
416 hr |
Reaction Time |
6291 hr |
Advection Time |
12830 hr |
Percent Reacted |
66.1 |
Percent Advected |
33.9 |
Half-Lives (hr) based upon Biowin (Ultimate) and Aopwin |
|
Air |
95.42 |
Water |
360 |
Soil |
720 |
Sediment |
3240 |
Biowin estimate |
3.095 (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, under the emission scenario of 1000 kg/h into each of air, water and soil compartments, according to Mackay, Level III. Distribution in various environmental compartments is estimated as: Air= 4.73%; Water= 34.2%; Soil= 61% and Sediment= 0.0929%.
The soil was then found to be the major target compartment. - Executive summary:
Distribution in environmental compartments has been calculated using a Fugacity model, under the emission scenario of 1000 kg/h into each of air, water and soil compartments, according to Mackay, Level III. Distribution in various environmental compartments is estimated as: Air= 4.73%; Water= 34.2%; Soil= 61% and Sediment= 0.0929%.
The soil was then found to be the major target compartment.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
