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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:
2014

Materials and methods

Model:
calculation according to Mackay, Level III

Test material

Constituent 1
Chemical structure
Reference substance name:
Hexadecyl methacrylate
EC Number:
219-672-3
EC Name:
Hexadecyl methacrylate
Cas Number:
2495-27-4
Molecular formula:
C20H38O2
IUPAC Name:
hexadecyl methacrylate
Test material form:
other: liquid

Study design

Test substance input data:
CAS Number: 2495-27-4
SMILES : O=C(OCCCCCCCCCCCCCCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, hexadecyl ester
MOL FOR: C20 H38 O2
MOL WT : 310.52
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : 367.00
Melting Point (deg C) : 20.50
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 hexadecyl 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-, hexadecyl ester

Molecular Wt: 310.52

Henry's LC : 0.0499 atm-m3/mole (Henrywin program)

Vapor Press : 0.00045 mm Hg (user-entered)

Log Kow : 8.64 (Kowwin program)

Soil Koc : 7.43e+004 (KOCWIN MCI method)

Release to air: 

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 93.5 6.93 1000

Water 0.258 360 0

Soil 6.24 720 0

Sediment 0.0248 3.24e+003 0

Persistence Time: 9.71 hr

Release to water: 

          Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0898 6.93 0

Water 91.2 360 1000

Soil 0.00599 720 0

Sediment 8.75 3.24e+003 0

Persistence Time: 359 hr

Applicant's summary and conclusion

Conclusions:
Using a valid modeling approach, if Hexadecyl 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 Hexadecyl 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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