Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2009

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
A Mackay level III distribution was calculated using EPIwin v. 3.20
Release year:
2 007
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid

Study design

Test substance input data:
Distributions were calculated with the following factors:

Level III Fugacity Model (Full-Output):
=======================================

Chem Name : 2-Propenamide, N- 3-(dimethylamino)propyl -2-methyl-
Molecular Wt: 170.26
Henry's LC : 6.72e-010 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.003 mm Hg (user-entered)
Log Kow : 0.5 (user-entered)
Soil Koc : 1.3 (calc by model)

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
99.8
Soil (%):
0
Sediment (%):
0.198
Other distribution results:
According to the model calculation, emissions into water basically stay there while emissions into air are partly removed by photodegradation while other parts partition to the soil and water compartments. It should be noted that the model substantially over-estimates the persistence time in water and soil. In reality the substance is readily biodegradable and the persistence times are lower.

Any other information on results incl. tables

Level III Fugacity Model (Full-Output) - Emission into Water (for Emission into Air see below)

=======================================

 Chem Name  : 2-Propenamide, N- 3-(dimethylamino)propyl -2-methyl-

 Molecular Wt: 170.26

 Henry's LC : 6.72e-010 atm-m3/mole (calc VP/Wsol)

 Vapor Press : 0.003 mm Hg (user-entered)

 Log Kow    : 0.5 (user-entered)

 Soil Koc   : 1.3 (calc by model)

 

          Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      1.73e-007      2.15        0         

  Water    99.8           900         1000      

  Soil     0.000496       1.8e+003    0         

  Sediment 0.198          8.1e+003    0         

 

            Fugacity   Reaction   Advection  Reaction   Advection

             (atm)     (kg/hr)     (kg/hr)   (percent)  (percent)

  Air      1.41e-018   0.000316   9.8e-006   3.16e-005  9.8e-007 

  Water    1.11e-014   435        565        43.5       56.5     

  Soil     1.86e-018   0.00108    0          0.000108   0        

  Sediment 1.07e-014   0.0957     0.0224     0.00957    0.00224  

 

  Persistence Time: 566 hr

  Reaction Time:   1.3e+003 hr

  Advection Time:  1e+003 hr

  Percent Reacted: 43.5

  Percent Advected: 56.5

 

  Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

     Air:     2.147

     Water:   900

     Soil:    1800

     Sediment: 8100

     Biowin estimate: 2.514 (weeks-months)

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

______________________________________________________________________________________________________________

Level III Fugacity Model (Full-Output): Emission into air

=======================================

 Chem Name  : 2-Propenamide, N- 3-(dimethylamino)propyl -2-methyl-

 Molecular Wt: 170.26

 Henry's LC : 6.72e-010 atm-m3/mole (calc VP/Wsol)

 Vapor Press : 0.003 mm Hg (user-entered)

 Log Kow    : 0.5 (user-entered)

 Soil Koc   : 1.3 (calc by model)

 

          Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      0.0233         2.15        1000      

  Water    33.2           900         0         

  Soil     66.7           1.8e+003    0         

  Sediment 0.0658         8.1e+003    0         

 

            Fugacity   Reaction   Advection  Reaction   Advection

             (atm)     (kg/hr)     (kg/hr)   (percent)  (percent)

  Air      3.62e-013   81.4       2.52       8.14       0.252    

  Water    7.11e-015   277        360        27.7       36       

  Soil     4.79e-013   278        0          27.8       0        

  Sediment 6.82e-015   0.061      0.0143     0.0061     0.00143  

 

  Persistence Time: 1.08e+003 hr

  Reaction Time:   1.7e+003 hr

  Advection Time:  2.99e+003 hr

  Percent Reacted: 63.7

  Percent Advected: 36.3

 

  Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

     Air:     2.147

     Water:   900

     Soil:    1800

     Sediment: 8100

       Biowin estimate: 2.514 (weeks-months)

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Using a valid Fugacity modeling method (Mackay Level III) the potential environmental distribution of N[3-Dimethylamino)propyl]methacrylamide was calculated. Emissions into water basically stay there while emissions into air are partly removed by photodegradation while other parts partition to the soil and water compartments. It should be noted that the model substantially over-estimates the persistence time in water and soil. In reality the substance is readily biodegradable and the persistence times are lower.
Executive summary:

According to the model calculation, emissions into water basically stay there while emissions into air are partly removed by photodegradation while other parts partition to the soil and water compartments. It should be noted that the model substantially over-estimates the persistence time in water and soil. In reality the substance is readily biodegradable and the persistence times are lower.

Emission into water:

         Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      1.73e-007      2.15        0         

  Water    99.8           900         1000      

  Soil     0.000496       1.8e+003    0         

  Sediment 0.198          8.1e+003    0         

_______________________________________

Emission into air:

         Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      0.0233         2.15        1000      

  Water    33.2           900         0         

  Soil     66.7           1.8e+003    0         

  Sediment 0.0658         8.1e+003    0