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Environmental fate & pathways

Distribution modelling

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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 modleing approach

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Level III Fugacity Model
Media:
other: air, water, soil, sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
Methacrylic acid
EC Number:
201-204-4
EC Name:
Methacrylic acid
Cas Number:
79-41-4
Molecular formula:
C4H6O2
IUPAC Name:
methacrylic acid
Details on test material:
Chem Name : 2-Propenoic acid, 2-methyl-
Molecular Wt: 86.09

Study design

Test substance input data:
Chem Name : 2-Propenoic acid, 2-methyl-
Molecular Wt: 86.09
Calculated/database Inputs:
Henry's LC : 3.88e-007 atm-m3/mole (Henry database)
Soil Koc : 2.25 (KOCWIN MCI method)
Physical Property Inputs:
Log Kow (octanol-water): 0.93
Boiling Point (deg C) : 162.00
Melting Point (deg C) : 14.40
Vapor Pressure (mm Hg) : 0.728
Water Solubility (mg/L): 98000

Results and discussion

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Emissions to WATER:

 

 Chem Name  : 2-Propenoic acid, 2-methyl-

 Molecular Wt: 86.09

 Henry's LC : 3.88e-007 atm-m3/mole (Henry database)

 Vapor Press : 0.728 mm Hg (user-entered)

 Log Kow    : 0.93 (user-entered)

 Soil Koc   : 2.25 (KOCWIN MCI method)

  

 

Mass Amount

Half-Life

Emissions

 

(percent)

(hr)

(kg/hr)

Air

0.00499

11.1

0

Water

99.8

208

1000

Soil

0.0124

416

0

Sediment

0.181

1.87e+003

0

 

             Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      3.28e-014   0.718       0.115     0.0718     0.0115  

  Water    5.2e-012    768         231        76.8       23.1     

  Soil     2.02e-014   0.0475     0          0.00475    0        

  Sediment 4.48e-012   0.155      0.00838    0.0155     0.000838 

 

  Persistence Time: 231 hr

  Reaction Time:   300 hr

  Advection Time:  1e+003 hr

  Percent Reacted: 76.9

  Percent Advected: 23.1

 

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

     Air:     11.14

     Water:   208.1

     Soil:    416.2

     Sediment: 1873

       Biowin estimate: 3.374 (days-weeks )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

 

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

Emissions to AIR:

  

 

Mass Amount

Half-Life

Emissions

 

(percent)

(hr)

(kg/hr)

Air

24.2

11.1

1000

Water

16.0

208

0

Soil

59.8

416

0

Sediment

0.0291

1.87e+003

0

 

 

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      3.58e-011   786        78.6       78.6       12.6     

  Water    1.89e-013   27.9        8.37      2.79       0.837    

  Soil     2.21e-011   52.0        0          5.2       0        

  Sediment 8.8e-014    0.00305    0.000165   0.000305   1.65e-005

 

  Persistence Time: 52.2 hr

  Reaction Time:   60.4 hr

  Advection Time:  388 hr

  Percent Reacted: 86.5

  Percent Advected: 13.5

 

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

     Air:    11.14

     Water: 208.1

     Soil:  416.2

     Sediment: 1873

     Biowin estimate: 3.374 (days-weeks )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Using a valid modlling technique, MAA is expected to partition primarily to water.
Executive summary:

In the Mackay Level III model, MAA, when released to air will primarily be rained out (59.8%), but also partly partition to water. When released to water, it will predominantly remain there (99.8 %).

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