Registration Dossier

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:
2015

Materials and methods

Model:
calculation according to Mackay, Level III

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: liquid

Study design

Test substance input data:
CAS Number: 32360-05-7
SMILES : O=C(OCCCCCCCCCCCCCCCCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, octadecyl ester
MOL FOR: C22 H42 O2
MOL WT : 338.58

EPI SUMMARY (v4.10)
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : 380.00
Melting Point (deg C) : 28.7
Vapor Pressure (mm Hg) : 0.00045
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------

Results and discussion

Percent distribution in media

Other distribution results:
Using a valid modeling approach, if octadecyl methacrylate is released mainly into air, it remains in the air. And if it is released into water, it also mainly remains in the water.

Any other information on results incl. tables

Distribution modelling

Level III Fugacity Model (Full-Output):

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

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

Molecular Wt: 338.58

Henry's LC : 0.0996 atm-m3/mole (Henrywin program)

Vapor Press : 4.5e-004 mm Hg (User entered)

Liquid VP : 4.9e-004 mm Hg (super-cooled)

Melting Pt : 28.7 deg C (user-entered)

Log Kow : 9.62 (Kowwin program)

Soil Koc : 2.47e+005 (KOCWIN MCI method)

Release to air:

 

Mass Amount

Half-Life

Emissions

 

(percent)

(hr)

(kg/hr)

Air

93.7

6.59

1000

Water

0.214

360

0

Soil

6.13

720

0

Sediment

0.00745

3.24e+003

0

                                       

 Fugacity(atm)  Reaction(kg/hr)  Advection(kg/hr)  Reaction(percent)  Advection(percent)
 Air 6.25e-012  913  86.8  91.3  8.68
 Water  1.39e-013  0.0382  0 .0199  0.00382  0.00199
 Soil  1.57e-012  0.547  0  0.0547  0
 Sediment  8.58e-014  0.000148  0.0000138  0.0000148  1.38e-06

Persistence Time: 9.27 hr

Reaction Time: 10.2 hr

Advection Time: 107 hr

Percent Reacted: 91.3

Percent Advected: 8.68

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

Air: 6.592

Water: 360

Soil: 720

Sediment: 3240

Biowin estimate: 2.890 (weeks )

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004 

Relaese to water:

 

Mass Amount

Half-Life

Emissions

 

(percent)

(hr)

(kg/hr)

Air

0.00989

6.59

0

Water

96.6

360

1000

Soil

0.000652

720

0

Sediment

3.36

3.24e+003

0

                                       

 Fugacity(atm)  Reaction(kg/hr)  Advection(kg/hr)  Reaction(percent)  Advection(percent)
 Air 2.52e-014  3.68  0.35  0.368  0.035
 Water  2.38e-009  654  340  65.4  34
 Soil  6.33e-013  0.00221542  0  0.000221  0
 Sediment  1.47e-009  2.52  0.236  0.252  0.0236
 

Persistence Time: 351 hr

Reaction Time: 533 hr

Advection Time: 1.03e+003 hr

Percent Reacted: 66

Percent Advected: 34

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

Air: 6.592

Water: 360

Soil: 720

Sediment: 3240

Biowin estimate: 2.890 (weeks )

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Using a valid modeling approach, if Octadecyl 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.
Executive summary:

Using a valid modeling approach, if Octadecyl methacrylate is released mainly into air, it remains in the air. And if it is released into water, it also mainly remains in the water.

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.