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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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:
2015

Materials and methods

Model:
calculation according to Mackay, Level III

Test material

Constituent 1
Chemical structure
Reference substance name:
Tetradecyl methacrylate
EC Number:
219-835-9
EC Name:
Tetradecyl methacrylate
Cas Number:
2549-53-3
Molecular formula:
C18H34O2
IUPAC Name:
tetradecyl 2-methylprop-2-enoate

Study design

Test substance input data:
CAS Number: 2549-53-3
SMILES : O=C(OCCCCCCCCCCCCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, tetradecyl ester
MOL FOR: C18 H34 O2
MOL WT : 282.47
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : 338.00
Melting Point (deg C) : 9.00
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 Tetradecyl 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.

Any other information on results incl. tables

Distribution modelling

Level III Fugacity Model (Full-Output):

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

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

Molecular Wt: 282.47

Henry's LC : 0.025 atm-m3/mole (Henrywin program)

Vapor Press : 0.00045 mm Hg (user-entered)

Log Kow : 7.66 (Kowwin program)

Soil Koc : 2.24e+004 (KOCWIN MCI method)

Release to air: 

 Mass Amount (percent)  Half-Life(hr)  Emissions(kg/hr)
 Air  93.8  7.3  1000
 Water  0.274  360  0
 Soil  5.85  720  0
 Sediment  0.0552  3.24e+003  0

                               

                                        

 Fugacity(atm)  Reaction(kg/hr)  Advection(kg/hr)  Reaction(percent)  Advection(percent)
 Air 8.22e-012  904  95.2  90.4  9.52
 Water  3.71e-012  0.0536  0 .0278  0.00536  0.00278
 Soil  5.44e-012  0.571  0  0.0571  0
 Sediment  2.3e-012  0.0012  0.000112  0.00012  1.12e-05

 

  Persistence Time: 10.1 hr

  Reaction Time:    11.2 hr

  Advection Time:  107 hr

  Percent Reacted:  90.5

  Percent Advected: 9.53

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

     Air:     7.299

     Water:   360

     Soil:    720

     Sediment: 3240

       Biowin estimate: 3.013 (weeks )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Release to water: 

 Mass Amount (percent)  Half-Life(hr)  Emissions(kg/hr)
 Air  0.588  7.3 0
 Water  82.7  360  1000
 Soil  0.0366  720  0
 Sediment  16.7  3.24e+003  0

                               

                                        

 Fugacity(atm)  Reaction(kg/hr)  Advection(kg/hr)  Reaction(percent)  Advection(percent)
 Air 1.65e-012  181  19.1  18.1  1.91
 Water  3.59e-08  518  269  51.8  26.9
 Soil  1.09e-012  0.115  0  0.0115  0
 Sediment  2.23e-08  11.6  1.08  1.16  0.108

        

 

  Persistence Time: 325 hr

  Reaction Time:    457 hr

  Advection Time:   1.12e-003 hr

  Percent Reacted:  71.1

  Percent Advected: 28.9

 

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

     Air:     7.299

     Water:   360

     Soil:    720

     Sediment: 3240

     Biowin estimate: 3.013 (weeks)

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Using a valid modeling approach, if Tetradecyl 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 Tetradecyl 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.

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