Decyl methacrylate

Distribution modelling

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: Based on an acceptable computer model. Accepted calculation method.

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:

2 012

Media:

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

Test material

Test material information

Constituent 1

Reference substance name:

Decyl methacrylate

EC Number:

221-657-1

EC Name:

Decyl methacrylate

Cas Number:

3179-47-3

Molecular formula:

C14H26O2

IUPAC Name:

decyl 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):
=======================================

Chem Name : 2-Propenoic acid, 2-methyl-, decyl ester
Molecular Wt: 226.36
Henry's LC : 0.00629 atm-m3/mole (Henrywin program)
Vapor Press : 0.00679 mm Hg (Mpbpwin program)
Log Kow : 5.7 (Kowwin program)
Soil Koc : 2.03e+003 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Other distribution results:

The potential environmental distribution of n-Decyl methacrylate obtained from generic level III fugacity model under two emission scenarios is 
shown in the table. 
The results show that if n-Decyl methacrylate is released mainly into air, it mainly remains in the air.  And if it is released into water, it also mainly 
remains in the water. n-Decyl methacrylate is predicted to partition to a small degree into soil and sediment.
Compartment                         Amount %                              
 Release 100% to air     Release 100% to water         
Air                          98.2                        1.76
Water                        0.357                       92.3
Soil                        1.44                         0.0 258
Sediment                0.0231                    5.97

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Emissions to air

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

Molecular Wt: 226.36

Henry's LC : 0.00629 atm-m3/mole (Henrywin program)

Vapor Press : 0.00679 mm Hg (Mpbpwin program)

Log Kow    : 5.7 (Kowwin program)

Soil Koc   : 2.03e+003 (KOCWIN MCI method)

 

		Mass Amount		Half-Life		Emissions
		(percent)		(hr)		(kg/hr)
Air		98.2		6.14		1000
Water		0.357		360		0
Soil		1.44		720		0
Sediment		0.0231		3.24e+003		0

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      8.78e-012    918        81.4       91.8       8.14     

  Water    4e-012    0.057      0.0296     0.0057     0.00296   

  Soil     3.76 e-012   0.115      0          0.00115    0        

  Sediment 2.68 e-012   0.000409  3.83e-005  4.09e-005  3.83e-006

 

  Persistence Time: 8.29 hr

  Reaction Time:   9.03 hr

  Advection Time: 102 hr

  Percent Reacted: 91.9

  Percent Advected: 8.14

 

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

     Air:      6.142

     Water:    360

     Soil:     720

     Sediment: 3240

       Biowin estimate: 3.137 (weeks)

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

 

 

Level III Fugacity Model (Full-Output):

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

Emissions to water

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

Molecular Wt: 226.36

Henry's LC : 0.00629 atm-m3/mole (Henrywin program)

Vapor Press : 0.00679 mm Hg (Mpbpwin program)

Log Kow : 5.7 (Kowwin program)

Soil Koc : 2.03e+003 (KOCWIN MCI method)

		Mass Amount		Half-Life		Emissions
		(percent)		(hr)		(kg/hr)
Air		1.76		6.14		0
Water		92.3		360		1000
Soil		0.0258		720		0
Sediment		5.97		3.24e+003		0

 

Fugacity   Reaction   Advection  Reaction   Advection

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

Air      3.89e-012   407         36.1        40.7        3.61

Water   2.56e-008   365         189         36.5        18.9

Soil     1.67e-012   0.0509      0           0.00509     0

Sediment 1.71e-008   2.62        0.245      0.262       0.0245

 

Persistence Time: 205 hr

Reaction Time:   265 hr

Advection Time:  910 hr

Percent Reacted: 77.4

Percent Advected: 22.6

 

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

Air:     6.142

Water:   360

Soil:    720

Sediment: 3240

Biowin estimate: 3.137 (weeks      )

 

Advection Times (hr):

Air:     100

Water:   1000

Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:

Using a valid modeling method, if  n-Decyl methacrylate is released into air, it mainly remains in the air; if it is released into water, it mainly remains in the water. n-Decyl methacrylate is predicted to partition to a small degree into soil and sediment.

Executive summary:

Using a valid modeling method, if  n-Decyl methacrylate is released into air, it mainly remains in the air; if it is released into water, it mainly remains in the water. n-Decyl methacrylate is predicted to partition to a small degree into soil and sediment.

NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.