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CAS Number: 75-38-7
SMILES : FC(F)=C
CHEM : Ethene, 1,1-difluoro-
MOL FOR: C2 H2 F2
MOL WT : 64.04
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 1.24
Log Kow (Exper. database match) = 1.24
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): -40.36 (Adapted Stein & Brown method)
Melting Pt (deg C): -156.32 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.87E+004 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.49E+006 (Mean VP of Antoine & Grain methods)
MP (exp database): -144 deg C
BP (exp database): -85.7 deg C
VP (exp database): 3.00E+04 mm Hg (4.00E+006 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.195e+004
log Kow used: 1.24 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 169 mg/L (25 deg C)
Exper. Ref: HORVATH,AL (1982)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 12599 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.26E-001 atm-m3/mole (2.29E+004 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 3.79E-01 atm-m3/mole (3.84E+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: 5.359E-003 atm-m3/mole (5.430E+002 Pa-m3/mole)
VP: 1.87E+004 mm Hg (source: MPBPVP)
WS: 1.2E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.24 (exp database)
Log Kaw used: 1.190 (exp database)
Log Koa (KOAWIN v1.10 estimate): 0.050
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7171
Biowin2 (Non-Linear Model) : 0.8908
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0577 (weeks )
Biowin4 (Primary Survey Model) : 3.7554 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5688
Biowin6 (MITI Non-Linear Model): 0.0007
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6890
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): 4E+006 Pa (3E+004 mm Hg)
Log Koa (Koawin est ): 0.050
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.5E-013
Octanol/air (Koa) model: 2.75E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.71E-011
Mackay model : 6E-011
Octanol/air (Koa) model: 2.2E-011
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.2667 E-12 cm3/molecule-sec
Half-Life = 4.719 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 56.624 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.028000 E-17 cm3/molecule-sec
Half-Life = 40.929 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
4.35E-011 (Junge-Pankow, Mackay avg)
2.2E-011 (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 : 11.91 L/kg (Kow method)
Log Koc: 1.076 (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 v3.01):
Log BCF from regression-based method = 0.485 (BCF = 3.056 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5707 days (HL = 0.2687 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.410 (BCF = 2.569)
Log BAF Arnot-Gobas method (upper trophic) = 0.410 (BAF = 2.569)
log Kow used: 1.24 (expkow database)
Volatilization from Water:
Henry LC: 0.379 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 0.8178 hours (49.07 min)
Half-Life from Model Lake : 76.02 hours (3.168 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.32 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.30 percent
Total to Air: 99.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 44.8 113 1000
Water 54.3 360 1000
Soil 0.793 720 1000
Sediment 0.171 3.24e+003 0
Persistence Time: 113 hr