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EC number: 214-604-9 | CAS number: 1163-19-5
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).
Henry’s Law Constant (25ºC)
1.19 x 10-8 atm-m3/mole(Bond)
4.45 x 10-8 atm-m3/mole(Group)
4.45 x 10-8atm-m3/mole
1.82 x 10-6unitless
2.075 x 10-12atm-m3/mole
VP/Wsol Estimate using EPI values
Liquid/Subcooled Vapor Pressure
6.32 x 10-7 Pa
4.74 x 10-9Hg
Koa (octanol/air partition coefficient)
2.648 x 1018
Log Kaw (air/water partition coefficient)
Particle/gas Partition Coefficient (Kp) (m3/μg)
4.75 (Mackay model)
6.5 x 105(Koa model)
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; 1.5x106OH/cm3)
4.085 x 105
5.28 x 1011
Level III Fugacity Model
Biomass to water partition coefficient
2.57 x 1011
STP Fugacity Model
Sorption to airborne particulates (25ºC)
At Emissions to Air, Water, Soil and Sediment of 1,000, 1,000, 1,000 and 0 kg/hr,
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.
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.
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