Ethylene dimethacrylate

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

(Q)SAR

Remarks:

estimated by calculation

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

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:

Ethylene dimethacrylate

EC Number:

202-617-2

EC Name:

Ethylene dimethacrylate

Cas Number:

97-90-5

Molecular formula:

C10H14O4

IUPAC Name:

2-[(2-methylprop-2-enoyl)oxy]ethyl 2-methylprop-2-enoate

Specific details on test material used for the study:

SMILES : O=C(OCCOC(=O)C(=C)C)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, 1,2-ethanediyl ester
MOL FOR: C10 H14 O4
MOL WT : 198.22

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-, 1,2-ethanediyl ester
Molecular Wt: 198.22
Henry's LC : 1.81e-006 atm-m3/mole (Henrywin program)
Vapor Press : 0.00753 mm Hg (Mpbpwin program)
Log Kow : 2.4 (Kowwin program)
Soil Koc : 23.3 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Other distribution results:

The potential environmental distribution of Ethyleneglycol dimethacrylate obtained from generic level III fugacity model shows that if Ethyleneglycol dimethacrylate is released mainly into air, it partially partition to soil and, to a lower degree, to water. If it is released into water, it mainly remains in the water. The chemical is a chemical intermediate - emissions to soil are not expected. Ethyleneglycol dimethacrylate is predicted to partition to a
small degree into sediment.

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name  : 2-Propenoic acid, 2-methyl-, 1,2-ethanediyl ester

Molecular Wt: 198.22

Henry's LC : 1.81e-006 atm-m3/mole (calc VP/Wsol)

Vapor Press : 0.00753 mm Hg (user-entered)

Log Kow    : 2.4 (user-entered)

Soil Koc   : 23.3 (KOCWIN MCI method)

 

	Mass Amount	Half-Life	Emissions
	(percent)	(hr)	(kg/hr)
Air	42.7	4.2	1000
Water	13.5	360	0
Soil	43.8	720	0
Sediment	0.0378	3240	0

 

Fugacity   Reaction   Advection  Reaction   Advection

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

Air      6.96e-012   933        56.5       93.3       5.65

Water    8.15e-014   3.44       1.79       0.344      0.179

Soil     3.43e-012   5.59       0          0.559      0

Sediment 7.33e-014   0.00107    0.0001     0.000107   1e-005

 

Persistence Time: 13.2 hr

Reaction Time:   14.1 hr

Advection Time:  227 hr

Percent Reacted: 94.2

Percent Advected: 5.83

 

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

Air:     4.197

Water:   360

Soil:    720

Sediment: 3240

Biowin estimate: 3.042 (weeks      )

 

Advection Times (hr):

Air:     100

Water:   1000

Sediment: 5e+004

 

 

Level III Fugacity Model (Full-Output):

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

Chem Name  : 2-Propenoic acid, 2-methyl-, 1,2-ethanediyl ester

Molecular Wt: 198.22

Henry's LC : 1.81e-006 atm-m3/mole (calc VP/Wsol)

Vapor Press : 0.00753 mm Hg (user-entered)

Log Kow    : 2.4 (user-entered)

Soil Koc   : 23.3 (KOCWIN MCI method)

 

	Mass Amount	Half-Life	Emissions
	(percent)	(hr)	(kg/hr)
Air	0.0103	4.2	0
Water	99.7	360	1000
Soil	0.0106	720	0
Sediment	0.28	3240	0

 

Fugacity   Reaction   Advection  Reaction   Advection

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

Air      4.34e-014   5.82       0.352      0.582      0.0352

Water    1.55e-011   654        340        65.4       34

Soil     2.14e-014   0.0348     0          0.00348    0

Sediment 1.39e-011   0.204      0.0191     0.0204     0.00191

 

Persistence Time: 341 hr

Reaction Time:   516 hr

Advection Time:  1e+003 hr

Percent Reacted: 66

Percent Advected: 34

 

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

Air:     4.197

Water:   360

Soil:    720

Sediment: 3240

Biowin estimate: 3.042 (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 Ethyleneglycol dimethacrylate was calculated. If released to air, Ethyleneglycol dimethacrylate partially partitions to soil and, and to a lower degree, to water. If it is released into water, it mainly remains in the water. The chemical is a chemical intermediate - emissions to soil are not expected. Ethyleneglycol dimethacrylate is predicted to partition to a small degree into sediment.

Executive summary:

Using a valid Fugacity modeling method (Mackay Level III) the potential environmental distribution of Ethyleneglycol dimethacrylate was calculated. If released to air, Ethyleneglycol dimethacrylate partially partitions to soil and, to a lower degree, to water. If it is released into water, it mainly remains in the water. The chemical is a chemical intermediate - emissions to soil are not expected. Ethyleneglycol dimethacrylate is predicted to partition to a small degree into sediment.