Registration Dossier

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:
2015

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

Constituent 1
Chemical structure
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-methylprop-2-enamide

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.