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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 calculation method.

Data source

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

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

Reference
Name:
Unnamed
Type:
Constituent

Study design

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

Chem Name : 2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester
Molecular Wt: 130.14
Henry's LC : 2.16e-007 atm-m3/mole (Henry database)
Vapor Press : 0.06 mm Hg (user-entered)
Log Kow : 0.42 (user-entered)
Soil Koc : 1.46 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Other distribution results:
The distribution modelling (Mackay level III fugacity modelling) indicates that when 2-hydroxyethyl methacrylate is released to water, most of the substance will remain in water. If released to air, most of the substance will be transported to water and soil. If released to soil, most of the substance will remain in soil with a portion transported to water.

Compartment                         Amount %                              
 Release 100% to air     Release 100% to water Release 100% to soil         
Air                          11.0                          0.0 0.1
Water                       22.9                       99.8 20.3
Soil                       66.0                         0.0 79.5
Sediment                0.04                     0.2 0.04

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

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

 Molecular Wt: 130.14

 Henry's LC : 2.16e-007 atm-m3/mole (Henry database)

 Vapor Press : 0.06 mm Hg (user-entered)

 Log Kow    : 0.42 (user-entered)

 Soil Koc   : 1.46 (KOCWIN MCI method)

 

          Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air       11              9.61         1000      

  Water     22.9           360          0         

  Soil      66              720          0         

  Sediment 0.0434      3.24e+003   0         

 

                   Fugacity          Reaction          Advection         Reaction          Advection

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

  Air                 2e-011       767                      106                      76.7                     10.6     

  Water           1.85e-013    42.8                     22.2                  4.28                     2.22     

  Soil            1.76e-011    61.6                     0                        6.16                            0        

  Sediment 1.69e-013    0.00899                  0.000841        0.000899                 8.41e-005

 

  Persistence Time: 96.9 hr

  Reaction Time:   111 hr

  Advection Time:  754 hr

  Percent Reacted: 87.1

  Percent Advected: 12.9

 

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

     Air:     9.612

     Water:   360

     Soil:    720

     Sediment: 3240

       Biowin estimate: 3.212 (weeks      )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

 

 

Level III Fugacity Model (Full-Output):

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

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

 Molecular Wt: 130.14

 Henry's LC : 2.16e-007 atm-m3/mole (Henry database)

 Vapor Press : 0.06 mm Hg (user-entered)

 Log Kow    : 0.42 (user-entered)

 Soil Koc   : 1.46 (KOCWIN MCI method)

 

                 Mass Amount   Half-Life   Emissions

                  (percent)       (hr)             (kg/hr)

  Air             0.00234               9.61                      0         

  Water           99.8                  360                1000      

  Soil            0.0141                720                 0        

 Sediment        0.189         3.24e+003           0         

  

                          Fugacity          Reaction          Advection         Reaction          Advection

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

  Air                    1.51e-014    0.579       0.0802                   0.0579            0.00802  

  Water                  2.83e-012   658         342                       65.8               34.2     

  Soil                   1.33e-014    0.0465      0           0.00465     0        

  Sediment            2.59e-012    0.138       0.0129      0.0138      0.00129  

 

  Persistence Time: 342 hr

  Reaction Time:   520 hr

  Advection Time:  1e+003 hr

  Percent Reacted: 65.8

  Percent Advected: 34.2

 

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

     Air:     9.612

     Water:   360

     Soil:    720

     Sediment: 3240

       Biowin estimate: 3.212 (weeks      )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

 

 

Level III Fugacity Model (Full-Output):

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

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

 Molecular Wt: 130.14

 Henry's LC : 2.16e-007 atm-m3/mole (Henry database)

 Vapor Press : 0.06 mm Hg (user-entered)

 Log Kow    : 0.42 (user-entered)

 Soil Koc   : 1.46 (KOCWIN MCI method)

 

                 Mass Amount   Half-Life   Emissions

                  (percent)       (hr)             (kg/hr)

  Air             0.104                 9.61                      0         

  Water           20.3            360                       0         

  Soil            79.5            720                 1000      

  Sediment        0.0384         3.24e+003        0         

 

                          Fugacity                 Reaction                 Advection                Reaction                 Advection

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

  Air                    1.35e-012                 51.9                     7.2                             5.19                            0.72     

  Water                  1.17e-012                 271                      141                             27.1                            14.1     

  Soil                   1.51e-010                 530                           0                               53                              0        

  Sediment               1.07e-012    0.0569                   0.00532                         0.00569                  0.000532 

 

  Persistence Time: 692 hr

  Reaction Time:   812 hr

  Advection Time:  4.68e+003 hr

  Percent Reacted: 85.2

  Percent Advected: 14.8

 

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

     Air:     9.612

     Water:   360

     Soil:    720

     Sediment: 3240

       Biowin estimate: 3.212 (weeks      )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

 

 

Applicant's summary and conclusion

Conclusions:
Using a valid modeling method, if hydroxyethyl methacrylate is released into air, it mainly partitions into soil and to a lesser degree into water; if it is released into water, it mainly remains in the water. If released to soil, most of the substance will remain in soil with a portion transported to water.
Executive summary:

Using a valid modeling method, if hydroxyethyl methacrylate is released into air, it mainly partitions into soil and to a lesser degree into water; if it is released into water, it mainly remains in the water. If released to soil, most of the substance will remain in soil with a portion transported to water.