Methacrylic anhydride

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

Remarks:

Based on an acceptable computer model.

Data source

Reference

Reference Type:

other: Company data

Title:

Unnamed

Year:

2012

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, 2011)

Release year:

2 011

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

Methacrylic anhydride

EC Number:

212-084-8

EC Name:

Methacrylic anhydride

Cas Number:

760-93-0

Molecular formula:

C8H10O3

IUPAC Name:

2-methylprop-2-enoyl 2-methylprop-2-enoate

Test material form:

liquid

Study design

Test substance input data:

Distributions were calculated with the following factors:

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

EPIWIN inputs:
Chem Name : 2-Propenoic acid, 2-methyl-, anhydride
Molecular Wt: 154.17
Henry's LC : 2.44e-005 atm-m3/mole (Henrywin program)
Vapor Press : 0.678 mm Hg (user-entered)
Log Kow : 1.23 (Kowwin program)
Soil Koc : 10 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Other distribution results:

The potential environmental distribution of methacrylic anhydride obtained from generic level III fugacity model shows that if released to air, methacrylic anhydride preferentially stays in air and partitions to a lesser degree to water and soil. Partitioning to sediment is very low. When released to water all methacrylic anhydride tends to stay in the compartment where it was released.
The chemical is a chemical intermediate - emissions to soil are not expected.

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

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

 Molecular Wt: 154.17

 Henry's LC : 2.44e-005 atm-m3/mole (Henrywin program)

 Vapor Press : 0.678 mm Hg (user-entered)

 Log Kow    : 1.23 (Kowwin program)

 Soil Koc   : 10 (KOCWIN MCI method)

 

	Mass Amount (percent)	Half-Life (hr)	Emissions (kg/hr)
Air	81.5	5.65	1000
Water	12.8	360	0
Soil	5.61	720	0
Sediment	0.0289	3240	0

 

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      1.19e-011   921        75.1       92.1       7.51     

  Water    9.36e-013   2.28       1.18       0.228      0.118    

  Soil     8.41e-012   0.497      0          0.0497     0        

  Sediment 8.5e-013    0.00057    5.33e-005  5.7e-005   5.33e-006

 

  Persistence Time: 9.22 hr

  Reaction Time:   9.98 hr

  Advection Time:  121 hr

  Percent Reacted: 92.4

  Percent Advected: 7.63

 

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

     Air:     5.654

     Water:   360

     Soil:    720

     Sediment: 3240

       Biowin estimate: 2.858 (weeks      )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

 

 

Level III Fugacity Model (Full-Output):

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

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

 Molecular Wt: 154.17

 Henry's LC : 2.44e-005 atm-m3/mole (Henrywin program)

 Vapor Press : 0.678 mm Hg (user-entered)

 Log Kow    : 1.23 (Kowwin program)

 Soil Koc   : 10 (KOCWIN MCI method)

 

	Mass Amount (percent)	Half-Life (hr)	Emissions (kg/hr)
Air	0.17	5.65	0
Water	99.6	360	1000
Soil	0.0117	720	0
Sediment	0.224	3240	0

 

 

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      8.57e-013   66.3       5.41       6.63       0.541    

  Water    2.51e-010   611        317        61.1       31.7     

  Soil     6.06e-013   0.0358     0          0.00358    0        

  Sediment 2.28e-010   0.153      0.0143     0.0153     0.00143  

 

  Persistence Time: 319 hr

  Reaction Time:   470 hr

  Advection Time:  987 hr

  Percent Reacted: 67.7

  Percent Advected: 32.3

 

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

     Air:     5.654

     Water:   360

     Soil:    720

     Sediment: 3240

       Biowin estimate: 2.858 (weeks      )

 

  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 methacrylic anhydride was calculated. If methacrylic anhydride is released to air, it preferentially stays in air and partitions to a lesser degree to water and soil. Partitioning to sediment is very low. When released to water all methacrylic anhydride tends to stay in the compartment where it was released.
The chemical is a chemical intermediate - emissions to soil are not expected.

Executive summary:

Using a valid Fugacity modeling method (Mackay Level III, Epiwin 4.1) the potential environmental distribution of methacrylic anhydride was calculated. If methacrylic anhydride is released to air, it preferentially stays in air and partitions to a lesser degree to water (12,8%) and soil (5.6 %). Partitioning to sediment is very low. When released to water all methacrylic anhydride tends to stay in the compartment where it was released. The chemical is a chemical intermediate - emissions to soil are not expected.