Bis(pentabromophenyl) ether

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:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Properties were estimated using method recommended by REACH Guidance. Measured properties were obtained using international guidelines and GLPs. Also published data on emissions from articles.

Data source

Reference

Reference 1

Reference Type:

other: software program

Title:

Estimations Programs Interface for Windows, EPIWin v3.20

Author:

anonymous

Year:

2007

Bibliographic source:

U.S. Environmental Protection Agency, Washington, D.C.

Reference 2

Reference Type:

study report

Title:

Unnamed

Year:

2003

Reference 3

Reference Type:

publication

Title:

Emission test chamber study: Specific emission rates of PBDE from selected materials under various conditions.

Author:

Kemmlein et al.

Year:

2006

Bibliographic source:

DIOXIN,2006, Oslo, Norway, August 21-24, 2006.

Reference 4

Reference Type:

publication

Title:

Unnamed

Year:

2002

Reference 5

Reference Type:

publication

Title:

Voluntary Childrens Chemical Evaluation Program (VCCEP). Data Summary. Decabromodiphenyl Ether (A.K.A Decabromodiphenyl Oxide, DBDPO). CAS # 1163-19-5.

Author:

Hardy et al.

Year:

2002

Bibliographic source:

Brominated Flame Retardant Industry Panel, American Chemistry Council, Arlington, VA; www.tera.org

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

EPIwin v3.20

Release year:

2 007

Media:

other: air, water, soil

Test material

Test material information

Constituent 1

Reference substance name:

Bis(pentabromophenyl) ether

EC Number:

214-604-9

EC Name:

Bis(pentabromophenyl) ether

Cas Number:

1163-19-5

Molecular formula:

C12Br10O

IUPAC Name:

bis(pentabromophenyl) ether

Details on test material:

Properties were modeled based on DecaBDE's structure

Results and discussion

Percent distribution in media

Air (%):

0.05

Water (%):

0.6

Soil (%):

50

Sediment (%):

49.3

Aerosol (%):

0

Any other information on results incl. tables

Predicted Transport and Distribution Between Environmental Compartments

DecaBDE’s transport and distribution between environmental compartments was modeled using EPI v. 3.20, and based on the chemical’s structure. Over 99% of DecaBDE released into the environment is predicted to partition to soil (50%) and sediment (49.3%). Negligible amounts are predicted to partition to water (0.6%) and air (0.05%) (Level III Fugacity Model; Emissions of 1000 kg/hr to each of air, water, soil).  In soil and sediment, DecaBDE is expected to bind extensively to organic carbon (estimated Koc soil =5.28 x 10¹¹). Movement into groundwater is not expected based on this Koc and measured water solubility (<0.1 ug/L). DecaBDE is not expcted to volatilize from water (Volatilization half-life in rivers = 4.649 years, in lakes = 50.74 years). DecaBDE is expected to partition from water to organic carbon (Koc = 4.085 x 10E5). In air, DecaBDE is expected to be bound to particulates; the fraction sorbed to particulates is estimated to be 1 at 25°C (AEROWIN v1.00). Its characteristic travel distance is expected to be low, which indicates it should not be subject to long-range transport in the atmosphere (Wania and Dugani 2002). Its movement in the atmosphere will be governed by that of the particulates to which it is bound.Sewage treatment plants are predicted to remove DecaBDE from the influent to a high degree (94%), but biodegradation in the treatment plant is not expected. Removal in the treatment plant will be by partitioning to sludge. DecaBDE leaching from polymers into water was insignificant (Norris et al., 1973,1974) as expected for a molecule of negligible water solubility and vapor pressure.  Release from articles is negligible (Kemmlein et al. 2003, 2006). No emission was vulanized rubber was detected over 277 d (DL= 6 ng/m3). Similarly, no emission was detected from a mattress or upholstered stool. An area specific emission rate for TV housing of 0.3 ng/m2/hr was calculated for BDE209.

Table 1. Estimated Properties for DecaBDE using EPI (v3.20).

Property	Result	EPI Module
Henry’s Law Constant (25ºC)	1.19 x 10-8 atm-m3/mole(Bond) 4.45 x 10-8 atm-m3/mole(Group)	HENRY (v3.10)
	4.45 x 10^-8atm-m3/mole 1.82 x 10^-6unitless	HENRYWIN v3.10
	2.075 x 10^-12atm-m3/mole	VP/Wsol Estimate using EPI values
Liquid/Subcooled Vapor Pressure	6.32 x 10^-7Pa 4.74 x 10^-9Hg	AEROWIN v1.00
Koa (octanol/air partition coefficient)	2.648 x 10^18	KOAWIN v1.10
Log Kaw (air/water partition coefficient)	-6.313	KOAWIN v1.10
Particle/gas Partition Coefficient (Kp) (m3/μg)	4.75 (Mackay model) 6.5 x 10^5(Koa model)	AEROWIN v1.00
Reaction with Hydroxyl Radicals in the Atmosphere	Overall OH Rate Constant = 0.0337 x10^-12cm3/molecule-sec;Half-life = 317.534 days (12-hr d; 1.5x10^6OH/cm3)	AOP v1.92
Koc	4.085 x 105	PCKOC (v1.66)
Koc soil	5.28 x 10^11	Level III Fugacity Model
Biomass to water partition coefficient	2.57 x 10^11	STP Fugacity Model
Sorption to airborne particulates (25ºC)	1	Octanol/Air Model
	0.994	Junge-Pankow Model
	0.997	Mackay Model

Environmental partitioning

At Emissions to Air, Water, Soil and Sediment of 1,000, 1,000, 1,000 and 0 kg/hr,  respectively: Distribution: Air 0.05%, Water 0.6%, Soil 50%, Sediment 49.3% Fugacity (atm): 6.1 x 10-15, Water 6.9 x 10-20, Soil 4.2 x 10-21, Sediment 1.8 x10-19. Reaction (kg/hr): Air 2.2, Water 41.3, Soil 1.7 x10+3, Sediment 367. Advection (kg/hr): Air 249, Water 257, Soil 0, Sediment 412. Reaction (%): Air 0.07, Water 1.4, Soil 56, Sediment 12. Advection (%): Air 8, Water 8.5, Soil 0, Sediment 13.7.

Level III Fugacity Model

Applicant's summary and conclusion

Conclusions:

DecaBDE's primary environmental compartments are sediment and soil, where it will be bound to particulate matter. DecaBDE is not expected to partition to air or water based on its neglible vapor pressure and water solubility. In these media, DecaBDE is expected to be adsorped to particulates. DecaBDE is not expected to undergo long range transport. Rather, its movement in the atmosphere will be associated with that of particulates.

Executive summary:

DecaBDE's primary environmental compartments are sediment and soil, where it will be bound to particulate matter. DecaBDE is not expected to partition to air or water based on its negligible vapor pressure and water solubility. In these media, DecaBDE is expected to be adsorped to particulates. DecaBDE is not expected to undergo long range transport. Rather, its movement in the atmospehre will be associated with that of particulates.