Tetrabromophthalic anhydride

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: 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

Test material information

Constituent 1

Reference substance name:

tetrabromophthalic anydride

IUPAC Name:

tetrabromophthalic anydride

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	----
Photodegradation in Soil	No Estimate	----
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	----
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.