Icosyl methacrylate

Distribution modelling

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

Test material information

Constituent 1

Reference substance name:

Icosyl methacrylate

EC Number:

256-220-4

EC Name:

Icosyl methacrylate

Cas Number:

45294-18-6

Molecular formula:

C24H46O2

IUPAC Name:

icosyl 2-methylprop-2-enoate

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) : -----
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):

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

CAS Number: 45294-18-6

SMILES : O=C(OCCCCCCCCCCCCCCCCCCCC)C(=C)C

CHEM : 2-Propenoic acid, 2-methyl-, eicosyl ester

MOL FOR: C24 H46 O2

MOL WT : 366.63

------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : 36.60

Vapor Pressure (mm Hg) : 0.00045

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Henry's LC : 0.199 atm-m3/mole (Henrywin program)

Vapor Press : 0.00045 mm Hg (user-entered)

Liquid VP : 0.000586 mm Hg (super-cooled)

Melting Pt : 36.6 deg C (user-entered)

Log Kow : 10.61 (Kowwin program)

Soil Koc : 8.19e+005 L/kg (KOCWIN MCI method)

Release to air:

	Mass Amount	Half-Life	Emissions
	(percent)	(hr)	(kg/hr)
Air	94.3	6.29	1000
Water	0.168	360	0
Soil	5.57	720	0
Sediment	0.00199	3.24e+003	0

Persistence Time: 8.82 hr 

Relaese to water:

	Mass Amount	Half-Life	Emissions
	(percent)	(hr)	(kg/hr)
Air	0.00101	6.29	0
Water	98.8	360	1000
Soil	5.95e-005	720	0
Sediment	1.17	3.24e+003	0

Persistence Time: 345 hr

Applicant's summary and conclusion

Conclusions:

Using a valid modeling approach, if Eicosyl 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 Eicosyl 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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