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CAS Num: 000075-71-8
SMILES : FC(F)(CL)CL
CHEM : Methane, dichlorodifluoro-
MOL FOR: C1 CL2 F2
MOL WT : 120.91
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.82
Log Kow (Exper. database match) = 2.16
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 2.55 (Adapted Stein & Brown method)
Melting Pt (deg C): -110.43 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.84E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 6.45E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -158 deg C
BP (exp database): -29.8 deg C
VP (exp database): 4.85E+03 mm Hg (6.47E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 258
log Kow used: 2.16 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 280 mg/L (25 deg C)
Exper. Ref: SMART,BE (1980)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2452.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.87E-001 atm-m3/mole (2.91E+004 Pa-m3/mole)
Group Method: 3.62E-001 atm-m3/mole (3.67E+004 Pa-m3/mole)
Exper Database: 3.43E-01 atm-m3/mole (3.48E+004 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: 4.686E-001 atm-m3/mole (4.749E+004 Pa-m3/mole)
VP: 4.84E+003 mm Hg (source: MPBPVP)
WS: 258 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.16 (exp database)
Log Kaw used: 1.147 (exp database)
Log Koa (KOAWIN v1.10 estimate): 1.013
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2833
Biowin2 (Non-Linear Model) : 0.0157
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3735 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3186 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4570
Biowin6 (MITI Non-Linear Model): 0.0001
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4725
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): 6.47E+005 Pa (4.85E+003 mm Hg)
Log Koa (Koawin est ): 1.013
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.64E-012
Octanol/air (Koa) model: 2.53E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.68E-010
Mackay model : 3.71E-010
Octanol/air (Koa) model: 2.02E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec
Half-Life = -------
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.69E-010 (Junge-Pankow, Mackay avg)
2.02E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 43.89 L/kg (MCI method)
Log Koc: 1.642 (MCI method)
Koc : 74.86 L/kg (Kow method)
Log Koc: 1.874 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.092 (BCF = 12.36 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2084 days (HL = 0.6188 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.175 (BCF = 14.96)
Log BAF Arnot-Gobas method (upper trophic) = 1.175 (BAF = 14.96)
log Kow used: 2.16 (expkow database)
Volatilization from Water:
Henry LC: 0.343 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.124 hours
Half-Life from Model Lake : 104.5 hours (4.353 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.25 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.60 percent
Total to Air: 98.64 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 52 1e+005 1000
Water 47.2 900 1000
Soil 0.601 1.8e+003 1000
Sediment 0.189 8.1e+003 0
Persistence Time: 165 hr