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CAS Number: 75-25-2

SMILES : BrC(Br)Br

CHEM : Methane, tribromo-

MOL FOR: C1 H1 Br3

MOL WT : 252.73

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

Physical Property Inputs:

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

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

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 1.79

Log Kow (Exper. database match) = 2.40

Exper. Ref: CHEMICALS INSPECTION AND TESTING INSTITU (1992)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 167.23 (Adapted Stein & Brown method)

Melting Pt (deg C): -11.87 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.34 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 712 (Mean VP of Antoine & Grain methods)

MP (exp database): 8.0 deg C

BP (exp database): 149.1 deg C

VP (exp database): 5.40E+00 mm Hg (7.20E+002 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 203.8

log Kow used: 2.40 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 3100 mg/L (25 deg C)

Exper. Ref: HORVATH,AL (1982)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2611.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.13E-004 atm-m3/mole (1.14E+001 Pa-m3/mole)

Group Method: 5.73E-004 atm-m3/mole (5.81E+001 Pa-m3/mole)

Exper Database: 5.35E-04 atm-m3/mole (5.42E+001 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 8.713E-003 atm-m3/mole (8.829E+002 Pa-m3/mole)

VP: 5.34 mm Hg (source: MPBPVP)

WS: 204 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 2.40 (exp database)

Log Kaw used: -1.660 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.060

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4887

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7275 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5892 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1998

Biowin6 (MITI Non-Linear Model): 0.0014

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.7475

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 720 Pa (5.4 mm Hg)

Log Koa (Koawin est ): 4.060

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 4.17E-009

Octanol/air (Koa) model: 2.82E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.5E-007

Mackay model : 3.33E-007

Octanol/air (Koa) model: 2.25E-007

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.0426 E-12 cm3/molecule-sec

Half-Life = 251.157 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.42E-007 (Junge-Pankow, Mackay avg)

2.25E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 31.82 L/kg (MCI method)

Log Koc: 1.503 (MCI method)

Koc : 120.9 L/kg (Kow method)

Log Koc: 2.083 (Kow method)

Experimental Log Koc: 2.06 (database)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 3.648E-005 L/mol-sec

Kb Half-Life at pH 8: 601.994 years

Kb Half-Life at pH 7: 6019.945 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.251 (BCF = 17.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8185 days (HL = 0.1519 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.290 (BCF = 19.49)

Log BAF Arnot-Gobas method (upper trophic) = 1.290 (BAF = 19.49)

log Kow used: 2.40 (expkow database)

Volatilization from Water:

Henry LC: 0.000535 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 3.362 hours

Half-Life from Model Lake : 170 hours (7.082 days)

Removal In Wastewater Treatment:

Total removal: 21.25 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.37 percent

Total to Air: 18.79 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 24.6 6.03e+003 1000

Water 35 900 1000

Soil 40.3 1.8e+003 1000

Sediment 0.12 8.1e+003 0

Persistence Time: 307 hr

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