Registration Dossier

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: Estimated using software recommended by REACH Guidance.

Data source

Reference
Reference Type:
other: software program
Title:
Estimation Programs Interface (EPI) Suite™ v3.20 for Microsoft® Windows
Author:
anonymous
Year:
2009
Bibliographic source:
U.S. Environmental Protection Agency, Washington, DC, U.S.A.

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
LEVEL III Fugacity Modelm EPI v 3.20
Release year:
2 007
Media:
other: air, water, soil

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
The hydrolysis product of TBPA was modeled, e.g. tetrabromphthalic acid (TBPA_acid).

Study design

Test substance input data:
chemical structure

Results and discussion

Percent distribution in media

Air (%):
5
Water (%):
7.4
Soil (%):
82.8
Sediment (%):
9.4

Any other information on results incl. tables

Tetrabromophthalic anhydride is expected to rapidly hydrolyze to tetrabromophthalic acid in the environment. TBPA acid's properties are modeled below.

Environmental Fate Parameters for Tetrabromophthalic Acid using EPI Suite, v3.20.

Parameter

Estimation Program

Result

Stability

Photodegradation in Air

AOP v1.92

Overall OH rate constant: 1.0464 E-012 cm3/molecule-sec

Half-life: 10.222 days (12-hr day; 1.5E6 OH/cm3)

Hydrolysis

HYDROWIN v1.67

Program cannot estimate for this structure.

Photodegradation in Water

No Estimate

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Photodegradation in Soil

No Estimate

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Biodegradation

Water

LEVEL III Fugacity Model using Biowin Ulitmate, AOPwin

Half-life: 1440 hours

Water and Sediment

LEVEL III Fugacity Model using Biowin Ulitmate, AOPwin

Half-life in sediment: 1.296E+004 hours

Soil

LEVEL III Fugacity Model using Biowin Ulitmate, AOPwin

Half-life: 2880 hours

Mode of Degradation in Actual Use

STP Fugacity Model

BIOWIN (v4.10)

Primary sludge: 37.88%, Waste Sludge 24.21%, Total Biodegradation 0.57%, Total Removal 62.65%, Final Water Effluent 37.35%

Linear Model: Does Not Biodegrade Fast

Non-Linear Model: Does Not Biodegrade Fast

Ultimate Biodegradation Timeframe: Months

Primary Biodegradation Timeframe: Weeks-Months

MITI Liner Model: Biodegrades Fast

MITI Non-Linear Model: Does Not Biodegrade Fast

Anaerobic Model: Biodegrades Fast

Ready Biodegradation Prediction: NO

Bioaccumulation

Aquatic/Sediment Organisms

BCF v2.17

Estimated Log BCF=0.500

BCF=3.162

Terrestrial Organisms

No Estimate

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Transport and Distribution

Adsorption/

Desorption

PCKOCWIN v1.66

557.3

Koc may vary with pH

Henry’s Law Constant, 25°C

HENRY v3.10

1.17E-014 atm-m3/mole

4.79E-013 unitless

Distribution Modeling

LEVEL III Fugacity Model

Emissions of 1000 kg/hr to air, water and soil

Air: 5.34E-007%, half-life 245 hr

Water: 7.362%, half-life 1.44E+03 hr

Soil: 82.8%, half-life 2.88E+03 hr

Sediment: 9.381%, half-life 1.3E+04

Other Distribution Data

KOAWIN v1.10

AEROWINv1.00

Volatilization from Water

Log Koa (octanol/air): 16.278

Koa (octanol/air): 1.897E+016

Sorption to aerosols at25°C: Kp (particle/gas partition coef.) 0.183 m3/ug (Mackay model); 4.66E+003m3/ug (Octanol/air model); Fraction sorbed to airborne particulates (phi): 0.869 Junge-Pankow, 0.936 Mackay, and 1 Octanol/air models.

Half life: 1.253x10+007 years (River); 1.367x10+008 years (Lake)

Applicant's summary and conclusion

Conclusions:
The primary environmental compartment for TBPA-acid, the hydrolysis product of TBPA, is expected to be soil (82.8%). Sediment and water are the next largest expected compartments (9.38% and 7.36%, repectively). Negligible amounts are expected to partition to air.
Executive summary:

The primary environmental compartment for TBPA-acid, the hydrolysis product of TBPA, is expected to be soil (82.8%). Sediment and water are the next largest expected compartments (9.38% and 7.36%, repectively). Negligible amounts are expected to partition to air.