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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

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