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EC number: 213-086-1 | CAS number: 923-02-4
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: Accepted calculation method.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 015
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:
- N-(hydroxymethyl)methacrylamide
- EC Number:
- 213-086-1
- EC Name:
- N-(hydroxymethyl)methacrylamide
- Cas Number:
- 923-02-4
- Molecular formula:
- C5H9NO2
- IUPAC Name:
- N-(hydroxymethyl)-2-methylacrylamide
Constituent 1
Study design
- Test substance input data:
- Distributions were calculated with the following factors:
N-(hydroxymethyl) methacrylamide
molecular weight: 115.13
Physical Property Inputs:
Log Kow (octanol-water): -0.41
Water Solubility (mg/L): 600000
EPIWIN inputs:
Henry's LC : 1.48e-011 atm-m3/mole (Henrywin program)
Vapor Press : 20.1 mm Hg (Mpbpwin program)
Liquid VP : 70.7 mm Hg (super-cooled)
Melting Pt : 80.2 deg C (Mpbpwin program)
Soil Koc : 1 (KOCWIN MCI method)
Results and discussion
Percent distribution in media
- Other distribution results:
- The potential environmental distribution of N-(hydroxymethyl) methacrylamide obtained from generic level III fugacity model under two emission scenarios is shown in the table.
The results show that if N-(hydroxymethyl) methacrylamide is released mainly into air, it mainly remains in the soil. If it is released into water, it mainly remains in the water. And if it is released into soil, it mainly remains in the soil. N-(hydroxymethyl) methacrylamide is predicted to partition mainly into soil and water and to a small degree into sediment.
Compartment Amount %
Release 100% to air Release 100% to water Release 100% to soil
Air 0.0009 0 0
Water 24.8 99.8 20.9
Soil 75.2 0 79.1
Sediment 0.046 0.2 0.04
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 2-Propenamide, N-(hydroxymethyl)-2-methyl-
Molecular Wt: 115.13
Henry's LC : 1.48e-011 atm-m3/mole (Henrywin program)
Vapor Press : 0.00029 mm Hg (Mpbpwin program)
Liquid VP : 0.00102 mm Hg (super-cooled)
Melting Pt : 80.2 deg C (Mpbpwin program)
Log Kow : -0.41 (user-entered)
Soil Koc : 1 (KOCWIN MCI method)
| Mass Amount (percent) | Half-Life (hr) | Emissions (kg/hr) | |
| Air | 8.78e-04 | 7.25 | 1000 |
| Water | 24.8 | 360 | 0 |
| Soil | 75.2 | 720 | 0 |
| Sediment | 0.0464 | 3.24e+003 | 0 |
| Fugacity (atm) | Reaction (kg/hr) | Advection (kg/hr) | Reaction (percent) | Advection (percent) | |
| Air | 1.28e-014 | 0.579 | 0.0606 | 0.0579 | 0.00606 |
| Water | 1.10e-016 | 329 | 171 | 32.9 | 17.1 |
| Soil | 1.14e-014 | 499 | 0 | 49.9 | 0 |
| Sediment | 1.00e-016 | 0.0684 | 0.0064 | 0.00684 | 6.40e-04 |
Persistence Time: 690 hr
Reaction Time: 832 hr
Advection Time: 4030 hr
Percent Reacted: 82.9
Percent Advected: 17.1
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 7.252
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 3.051 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 2-Propenamide, N-(hydroxymethyl)-2-methyl-
Molecular Wt: 115.13
Henry's LC : 1.48e-011 atm-m3/mole (Henrywin program)
Vapor Press : 0.00029 mm Hg (Mpbpwin program)
Liquid VP : 0.00102 mm Hg (super-cooled)
Melting Pt : 80.2 deg C (Mpbpwin program)
Log Kow : -0.41 (user-entered)
Soil Koc : 1 (KOCWIN MCI method)
| Mass Amount (percent) | Half-Life(hr) | Emissions(kg/hr) | |
| Air | 9.16e-011 | 7.25 | 0 |
| Water | 99.8 | 360 | 1000 |
| Soil | 7.84e-006 | 720 | 0 |
| Sediment | 0.187 | 3.24e+003 | 0 |
| Fugacity(atm) | Reaction(kg/hr) | Advection(kg/hr) | Reaction(percent) | Advection(percent) | |
| Air | 6.65e-022 | 3.0e-08 | 3.14e-09 | 3.0e-09 | 3.14e-010 |
| Water | 2.20e-016 | 658 | 342 | 65.8 | 34.2 |
| Soil | 5.92e-022 | 2.58e-05 | 0 | 2.58e-06 | 0 |
| Sediment | 2.01e-016 | 0.137 | 0.0128 | 0.0137 | 0.00128 |
Persistence Time: 342 hr
Reaction Time: 520 hr
Advection Time: 1000 hr
Percent Reacted: 65.8
Percent Advected: 34.2
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 7.252
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 3.051 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 2-Propenamide, N-(hydroxymethyl)-2-methyl-
Molecular Wt: 115.13
Henry's LC : 1.48e-011 atm-m3/mole (Henrywin program)
Vapor Press : 0.00029 mm Hg (Mpbpwin program)
Liquid VP : 0.00102 mm Hg (super-cooled)
Melting Pt : 80.2 deg C (Mpbpwin program)
Log Kow : -0.41 (user-entered)
Soil Koc : 1 (KOCWIN MCI method)
| Mass Amount (percent) | Half-Life(hr) | Emissions(kg/hr) | |
| Air | 2.24e-08 | 7.25 | 0 |
| Water | 20.9 | 360 | 0 |
| Soil | 79.1 | 720 | 1000 |
| Sediment | 0.039 | 3.24e+003 | 0 |
| Fugacity(atm) | Reaction(kg/hr) | Advection(kg/hr) | Reaction(percent) | Advection(percent) | |
| Air | 3.46e-019 | 1.56e-05 | 1.63e-06 | 1.56e-06 | 1.63e-07 |
| Water | 9.78e-017 | 293 | 152 | 29.3 | 15.2 |
| Soil | 1.27e-014 | 555 | 0 | 55.5 | 0 |
| Sediment | 8.93e-017 | 0.0609 | 0.00569 | 0.00609 | 0.000569 |
Persistence Time: 729 hr
Reaction Time: 860 hr
Advection Time: 4790 hr
Percent Reacted: 84.8
Percent Advected: 15.2
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 7.252
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 3.051 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- Using a valid modeling method, if N-(hydroxymethyl) methacrylamide is released into air, it mainly remains in the soil. If it is released into water, it mainly remains in the water. And if it is released into soil, it mainly remains in the soil. N-(hydroxymethyl) methacrylamide is predicted to partition only to a small degree into sediment.
- Executive summary:
Using a valid modeling method, if N-(hydroxymethyl) methacrylamide is released into air, it mainly remains in the soil. If it is released into water, it mainly remains in the water. And if it is released into soil, it mainly remains in the soil. N-(hydroxymethyl) methacrylamide is predicted to partition only to a small degree into sediment.
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