Methacrylic acid

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key 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:

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

Test material information

Constituent 1

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

Specific details on test material used for the study:

O=C(O)C(=C)C

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 %).