Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methacrylate

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting 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:

2015

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), calculation from 2011 updated with respect to change in standard defaults for phototransformation

Release year:

2 011

Media:

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

Test material

Test material information

Constituent 1

Reference substance name:

Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methacrylate

EC Number:

231-403-1

EC Name:

Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methacrylate

Cas Number:

7534-94-3

Molecular formula:

C14H22O2

IUPAC Name:

1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methacrylate

Details on test material:

Purity not specified, but > 98% commercial grade assumed.

Study design

Test substance input data:

Distributions were calculated with the following factors:

Chem Name : 2-Propenoic acid, 2-methyl-, 1,7,7-trimethylbicyclo 2.2.1 hept-2-yl ester, exo-
Molecular Wt: 222.33

Physical Property Inputs:

Boiling Point (deg C): 258 (user-entered)
Melting Point (deg C): -94 (user-entered)
Vapor Pressure (mm Hg): 0.0563 (user-entered) at 20°C
Water Solubility (mg/L): 5.44 (user-entered) at 20 °C
Log Kow : 5.09 (user-entered)

EPIWIN inputs:
Henry's LC: 0.00302 atm-m3/mole (calc VP/Wsol)
Soil Koc: 1.26e+003 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Air (%):

1.58

Water (%):

16.1

Soil (%):

81.2

Sediment (%):

1.13

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name : 2-Propenoic acid, 2-methyl-, 1,7,7-trimethylbicyclo 2.2.1 hept-2-yl ester, exo-

Molecular Wt: 222.33

Henry's LC : 0.00302 atm-m3/mole (calc VP/Wsol)

Vapor Press : 0.0563 mm Hg (user-entered) at 20 °C

Log Kow : 5.09 (user-entered)

Soil Koc : 1.26e+003 (KOCWIN MCI method)

		Mass Amount		Half-Life		Emissions
		(percent)		(hr)		(kg/hr)
Air		1.58		9.22		1000
Water		16.1		900		1000
Soil		81.2		1.8e+003		1000
Sediment		1.13		8.1e+003		0

                   Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      2.68e-011  1.83e+003    244       61.1       8.12     

  Water    1.68e-008   191         248       6.37       8.28   

  Soil     3.09 e-008   483         0         16.1       0        

  Sediment 1.89 e-008   1.49     0.349 0.0497  0.0116

Persistence Time: 515 hr

Reaction Time: 616 hr

Advection Time: 3.14e+003 hr

Percent Reacted: 83.6

Percent Advected: 16.4

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

Air: 9.22

Water: 900

Soil: 1800

Sediment: 8100

Biowin estimate: 2.424 (weeks-months)

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:

Using a valid modeling method, if Isobornyl  methacrylate is released into the environment, it mainly remains in soil. Isobornyl methacrylate is
predicted to partition to a small degree into water.

Executive summary:

Using a valid modeling method, if Isobornyl  methacrylate is released into the environment, it mainly remains in soil. Isobornyl methacrylate is predicted to partition to a small degree into water.