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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