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CAS Number: 74-83-9

SMILES : BrC

CHEM : Methane, bromo-

MOL FOR: C1 H3 Br1

MOL WT : 94.94

------------------------------ 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) = 1.18

Log Kow (Exper. database match) = 1.19

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 26.06 (Adapted Stein & Brown method)

Melting Pt (deg C): -105.39 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.59E+003 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.12E+005 (Mean VP of Antoine & Grain methods)

MP (exp database): -93.7 deg C

BP (exp database): 3.5 deg C

VP (exp database): 1.62E+03 mm Hg (2.16E+005 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1.164e+004

log Kow used: 1.19 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1.52e+004 mg/L (25 deg C)

Exper. Ref: HORVATH,AL (1982)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 21705 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Bromoalkanes

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

Bond Method : 8.49E-003 atm-m3/mole (8.60E+002 Pa-m3/mole)

Group Method: 6.29E-003 atm-m3/mole (6.37E+002 Pa-m3/mole)

Exper Database: 7.34E-03 atm-m3/mole (7.44E+002 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: 8.156E-003 atm-m3/mole (8.264E+002 Pa-m3/mole)

VP: 1.59E+003 mm Hg (source: MPBPVP)

WS: 1.16E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.19 (exp database)

Log Kaw used: -0.523 (exp database)

Log Koa (KOAWIN v1.10 estimate): 1.713

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6562

Biowin2 (Non-Linear Model) : 0.0583

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0183 (weeks )

Biowin4 (Primary Survey Model) : 3.7461 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5269

Biowin6 (MITI Non-Linear Model): 0.3204

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.1156

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 2.16E+005 Pa (1.62E+003 mm Hg)

Log Koa (Koawin est ): 1.713

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

Mackay model : 1.39E-011

Octanol/air (Koa) model: 1.27E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.02E-010

Mackay model : 1.11E-009

Octanol/air (Koa) model: 1.01E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.0381 E-12 cm3/molecule-sec

Half-Life = 280.882 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.06E-010 (Junge-Pankow, Mackay avg)

1.01E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 13.22 L/kg (MCI method)

Log Koc: 1.121 (MCI method)

Koc : 10.77 L/kg (Kow method)

Log Koc: 1.032 (Kow method)

Experimental Log Koc: 1.34 (database)

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

Total Kb for pH > 8 at 25 deg C : 1.795E-004 L/mol-sec

Kb Half-Life at pH 8: 122.375 years

Kb Half-Life at pH 7: 1223.748 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.452 (BCF = 2.832 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8963 days (HL = 0.127 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.351 (BCF = 2.243)

Log BAF Arnot-Gobas method (upper trophic) = 0.351 (BAF = 2.243)

log Kow used: 1.19 (expkow database)

Volatilization from Water:

Henry LC: 0.00734 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.072 hours

Half-Life from Model Lake : 93.4 hours (3.891 days)

Removal In Wastewater Treatment:

Total removal: 74.38 percent

Total biodegradation: 0.04 percent

Total sludge adsorption: 0.68 percent

Total to Air: 73.66 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 53.1 6.39e+003 1000

Water 41.9 360 1000

Soil 4.88 720 1000

Sediment 0.1 3.24e+003 0

Persistence Time: 151 hr

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