This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 74-97-5
SMILES : BrCCL
CHEM : Methane, bromochloro-
MOL FOR: C1 H2 Br1 CL1
MOL WT : 129.38
------------------------------ 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) = 1.43
Log Kow (Exper. database match) = 1.41
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 94.23 (Adapted Stein & Brown method)
Melting Pt (deg C): -70.53 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 143 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.9E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -87.9 deg C
BP (exp database): 68.0 deg C
VP (exp database): 1.43E+02 mm Hg (1.91E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5779
log Kow used: 1.41 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1.67e+004 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 9290.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.99E-003 atm-m3/mole (3.03E+002 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.46E-03 atm-m3/mole (1.48E+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: 4.212E-003 atm-m3/mole (4.268E+002 Pa-m3/mole)
VP: 143 mm Hg (source: MPBPVP)
WS: 5.78E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.41 (exp database)
Log Kaw used: -1.224 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.634
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5284
Biowin2 (Non-Linear Model) : 0.0059
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7690 (weeks )
Biowin4 (Primary Survey Model) : 3.5958 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4745
Biowin6 (MITI Non-Linear Model): 0.1218
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.2065
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): 1.91E+004 Pa (143 mm Hg)
Log Koa (Koawin est ): 2.634
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.57E-010
Octanol/air (Koa) model: 1.06E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.68E-009
Mackay model : 1.26E-008
Octanol/air (Koa) model: 8.45E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0994 E-12 cm3/molecule-sec
Half-Life = 107.630 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
9.14E-009 (Junge-Pankow, Mackay avg)
8.45E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 21.73 L/kg (MCI method)
Log Koc: 1.337 (MCI method)
Koc : 16.72 L/kg (Kow method)
Log Koc: 1.223 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.350E-008 L/mol-sec
Kb Half-Life at pH 8: 2.349E+005 years
Kb Half-Life at pH 7: 2.349E+006 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.597 (BCF = 3.957 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7771 days (HL = 0.1671 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.510 (BCF = 3.234)
Log BAF Arnot-Gobas method (upper trophic) = 0.510 (BAF = 3.234)
log Kow used: 1.41 (expkow database)
Volatilization from Water:
Henry LC: 0.00146 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.617 hours
Half-Life from Model Lake : 113 hours (4.709 days)
Removal In Wastewater Treatment:
Total removal: 38.48 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 1.28 percent
Total to Air: 37.14 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 40.5 2.92e+003 1000
Water 37.8 360 1000
Soil 21.6 720 1000
Sediment 0.104 3.24e+003 0
Persistence Time: 183 hr