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EC number: 201-202-3 | CAS number: 79-39-0
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (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
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 013
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- A Mackay level III distribution was calculated using the EPI Suite ver. 4.10 (US-EPA, 2008)
- Release year:
- 2 008
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Methacrylamide
- EC Number:
- 201-202-3
- EC Name:
- Methacrylamide
- Cas Number:
- 79-39-0
- Molecular formula:
- C4H7NO
- IUPAC Name:
- methacrylamide
Constituent 1
- Specific details on test material used for the study:
- SMILES struture: CC(=C)C(N)=O
Study design
- Test substance input data:
- Distributions were calculated with the following factors:
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 2-Propenamide, 2-methyl-
Molecular Wt: 85.11
Henry's LC : 1.26e-009 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.00112 mm Hg (user-entered)
Liquid VP : 0.0078 mm Hg (super-cooled)
Melting Pt : 110 deg C (user-entered)
Log Kow : -0.15 (user-entered)
Soil Koc : 8.91 (KOCWIN MCI method)
Results and discussion
Percent distribution in media
- Other distribution results:
- The potential environmental distribution of methacrylamide obtained from generic level III fugacity model under three emission scenarios is shown in the table.
The results show that if methacrylamide is released mainly into air, it mainly remains in the soil. If it is released into water, it also mainly remains in the water. And if it is released mainly into soil, it mainly remains in the soil. Methacrylamide is predicted to partition mainly into soil and water and mainly to a small degree into sediment.
Compartment Amount %
Release 100% to air Release 100% to water Release 100% to soil
Air 0.07 0 0
Water 18.1 99.8 14.3
Soil 81.8 0 85.7
Sediment 0.04 0.2 0.03
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 2-Propenamide, 2-methyl-
Molecular Wt: 85.11
Henry's LC : 1.26e-009 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.00112 mm Hg (user-entered)
Liquid VP : 0.0078 mm Hg (super-cooled)
Melting Pt : 110 deg C (user-entered)
Log Kow : -0.15 (user-entered)
Soil Koc : 8.91 (KOCWIN MCI method)
| Mass Amount (percent) | Half-Life (hr) | Emissions (kg/hr) | |
| Air | 0.0264 | 10.7 | 1000 |
| Water | 31.4 | 360 | 1000 |
| Soil | 68.5 | 720 | 1000 |
| Sediment | 0.0692 | 3.24e+003 | 0 |
| Fugacity (atm) | Reaction (kg/hr) | Advection (kg/hr) | Reaction (percent) | Advection (percent) | |
| Air | 1.43e-012 | 32.2 | 4.97 | 1.07 | 0.166 |
| Water | 4.36e-014 | 1.13e+003 | 589 | 37.8 | 19.6 |
| Soil | 2.06e-012 | 1.24e+003 | 0 | 41.3 | 0 |
| Sediment | 3.96e-014 | 0.278 | 0.026 | 0.00926 | 0.000866 |
Persistence Time: 626 hr
Reaction Time: 781 hr
Advection Time: 3.16e+003 hr
Percent Reacted: 80.2
Percent Advected: 19.8
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 10.68
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 2.957 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 2-Propenamide, 2-methyl-
Molecular Wt: 85.11
Henry's LC : 1.26e-009 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.00112 mm Hg (user-entered)
Liquid VP : 0.0078 mm Hg (super-cooled)
Melting Pt : 110 deg C (user-entered)
Log Kow : -0.15 (user-entered)
Soil Koc : 8.91 (KOCWIN MCI method)
| Mass Amount (percent) | Half-Life (hr) | Emissions (kg/hr) | |
| Air | 0.0679 | 10.7 | 1000 |
| Water | 18.1 | 360 | 0 |
| Soil | 81.8 | 720 | 0 |
| Sediment | 0.04 | 3.24e+003 | 0 |
| Fugacity (atm) | Reaction (kg/hr) | Advection (kg/hr) | Reaction (percent) | Advection (percent) | |
| Air | 1.42e-012 | 32.2 | 4.96 | 3.22 | 0.496 |
| Water | 9.8e-015 | 255 | 132 | 25.5 | 13.2 |
| Soil | 9.57e-013 | 575 | 0 | 57.5 | 0 |
| Sediment | 8.9e-015 | 0.0625 | 0.00584 | 0.00625 | 0.000584 |
Persistence Time: 731 hr
Reaction Time: 848 hr
Advection Time: 5.32e+003 hr
Percent Reacted: 86.3
Percent Advected: 13.7
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 10.68
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 2.957 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 2-Propenamide, 2-methyl-
Molecular Wt: 85.11
Henry's LC : 1.26e-009 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.00112 mm Hg (user-entered)
Liquid VP : 0.0078 mm Hg (super-cooled)
Melting Pt : 110 deg C (user-entered)
Log Kow : -0.15 (user-entered)
Soil Koc : 8.91 (KOCWIN MCI method)
| Mass Amount (percent) | Half-Life (hr) | Emissions (kg/hr) | |
| Air | 6.38e-007 | 10.7 | 0 |
| Water | 99.8 | 360 | 1000 |
| Soil | 0.000769 | 720 | 0 |
| Sediment | 0.22 | 3.24e+003 | 0 |
| Fugacity (atm) | Reaction (kg/hr) | Advection (kg/hr) | Reaction (percent) | Advection (percent) | |
| Air | 6.27e-018 | 0.000142 | 2.19e-005 | 1.42e-005 | 2.19e-006 |
| Water | 2.53e-014 | 658 | 342 | 65.8 | 34.2 |
| Soil | 4.22e-018 | 0.00254 | 0 | 0.000254 | 0 |
| Sediment | 2.3e-014 | 0.161 | 0.0151 | 0.0161 | 0.00151 |
Persistence Time: 343 hr
Reaction Time: 521 hr
Advection Time: 1e+003 hr
Percent Reacted: 65.8
Percent Advected: 34.2
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 10.68
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 2.957 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 2-Propenamide, 2-methyl-
Molecular Wt: 85.11
Henry's LC : 1.26e-009 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.00112 mm Hg (user-entered)
Liquid VP : 0.0078 mm Hg (super-cooled)
Melting Pt : 110 deg C (user-entered)
Log Kow : -0.15 (user-entered)
Soil Koc : 8.91 (KOCWIN MCI method)
| Mass Amount (percent) | Half-Life (hr) | Emissions (kg/hr) | |
| Air | 0.000104 | 10.7 | 0 |
| Water | 14.3 | 360 | 0 |
| Soil | 85.7 | 720 | 1000 |
| Sediment | 0.0315 | 3.24e+003 | 0 |
| Fugacity (atm) | Reaction (kg/hr) | Advection (kg/hr) | Reaction (percent) | Advection (percent) | |
| Air | 2.4e-015 | 0.0543 | 0.00837 | 0.00543 | 0.000837 |
| Water | 8.5e-015 | 221 | 115 | 22.1 | 11.5 |
| Soil | 1.1e-012 | 664 | 0 | 66.4 | 0 |
| Sediment | 7.72e-015 | 0.0542 | 0.00507 | 0.00542 | 0.000507 |
Persistence Time: 805 hr
Reaction Time: 909 hr
Advection Time: 7.01e+003 hr
Percent Reacted: 88.5
Percent Advected: 11.5
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 10.68
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 2.957 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- Using a valid modeling method, if methacrylamide is released mainly into air, it mainly remains in the soil. If it is released into water, it also mainly remains in the water. And if it is released into soil, it mainly remains in the soil. Methacrylamide is predicted to partition only to a small degree into sediment.
- Executive summary:
Using a valid modeling method, if methacrylamide is released mainly into air, it mainly remains in the soil. If it is released into water, it also mainly remains in the water. And if it is released into soil, it mainly remains in the soil. Methacrylamide is predicted to partition only to a small degree into sediment.
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