Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
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:
2017
Report Date:
2017

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
Test material form:
liquid
Details on test material:
SMILES: CCCCCCCCOC(=O)C(C)=C

Study design

Test substance input data:
Distributions were calculated with the following factors:
CAS Number: 2157-01-9
SMILES : O=C(OCCCCCCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, octyl ester
MOL FOR: C12 H22 O2
MOL WT : 198.31
------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:
Log Kow (octanol-water): 5.24
Boiling Point (deg C) : 232.90
Melting Point (deg C) : -20.00
Vapor Pressure (mm Hg) : 0.03
Water Solubility (mg/L): 5.3
Henry LC (atm-m3/mole) : ------

Results and discussion

Percent distribution in media

Other distribution results:
The potential environmental distribution of n-octyl methacrylate obtained from generic level III fugacity model under two  emission scenarios is shown in the table. 
The results show that if n-octyl 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-OMA does not have a significant presence in soil or sediment.
Compartment | Amount %                              
| | Release 100% to air | Release 100% to water         
Air | 97.2 | 1.77
Water | 1.37 | 96.0
Soil | 1.43 | 0.026
Sediment | 0.0316 | 2.21

Any other information on results incl. tables

Level III Fugacity Model (Full-Output): air

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

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

 Molecular Wt: 198.31

 Henry's LC  : 0.00148 atm-m3/mole (calc VP/Wsol)

 Vapor Press : 0.03 mm Hg  (user-entered)

 Log Kow     : 5.24  (user-entered)

 Soil Koc    : 610  (KOCWIN MCI method)

 Mass Amount (percent)  Half-Life(hr)  Emissions(kg/hr)
 Air  97.2  6.59  1000
 Water  1.37  360  0
 Soil 1.43  720  0
 Sediment  0.0316  3.24e+003  0

                               

                                      

 Fugacity(atm)  Reaction(kg/hr)  Advection(kg/hr)  Reaction(percent)  Advection(percent)
 Air 1.07e-011  913  86.8  91.3  8.68
 Water  4.52e-012  0.236  0 .123  0.0236

 0.0123

 Soil

 5.53e-012

 0.123

 0

 0.0123

 0

 Sediment

 3.36e-012

 0.000604

 5.64e-005

 6.04e-005

 5.64e-06

 

  Persistence Time: 8.93 hr

  Reaction Time:    9.78 hr

  Advection Time:   103 hr

  Percent Reacted:  91.3

  Percent Advected: 8.69

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

     Air:      6.587

     Water:    360

     Soil:     720

     Sediment: 3240

     Biowin estimate: 3.199  (weeks       )

  Advection Times (hr):

     Air:      100

     Water:    1000

     Sediment: 5e+004

Level III Fugacity Model (Full-Output): water

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

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

 Molecular Wt: 198.31

 Henry's LC  : 0.00148 atm-m3/mole (calc VP/Wsol)

 Vapor Press : 0.03 mm Hg  (user-entered)

 Log Kow     : 5.24  (user-entered)

 Soil Koc    : 610  (KOCWIN MCI method)

 Mass Amount (percent)  Half-Life(hr)  Emissions(kg/hr)
 Air  1.77  6.59 0
 Water  96.0  360  1000
 Soil  0.026  720  0
 Sediment  2.21  3.24e+003  0

                               

                                        

 Fugacity(atm)  Reaction(kg/hr)  Advection(kg/hr)  Reaction(percent)  Advection(percent)
 Air 4.49e-012  384  36.5  38.4  3.65
 Water  7.3e-09  381  198  38.1  19.8
 Soil  1.48e-012  0.0516  0  0.00516  0
 Sediment  5.42e-09  0.974  0.091  0.0974  0.0091

  Persistence Time: 206 hr

  Reaction Time:    269 hr

  Advection Time:   879 hr

  Percent Reacted:  76.6

  Percent Advected: 23.4

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

     Air:      6.587

     Water:    360

     Soil:     720

     Sediment: 3240

     Biowin estimate: 3.199  (weeks       )

  Advection Times (hr):

     Air:      100

     Water:    1000

     Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Using a valid modeling method, if n-octyl  methacrylate is released mainly into air, it mainly remains in the air; if it is released into water, it  mainly remains in the water. n-OMA does not have a significant presence in soil or sediment.
Executive summary:

Using a valid modeling method, if n-octyl methacrylate is released mainly into air, it mainly remains in the air; if it is released into water, it mainly remains in the water. n-OMA does not have a significant presence in soil or sediment.