ChemSpider 2D Image | perfluoroethene | C2F4


  • Molecular FormulaC2F4
  • Average mass100.015 Da
  • Monoisotopic mass99.993614 Da
  • ChemSpider ID8000

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Ethene, 1,1,2,2-tetrafluoro- [ACD/Index Name]
ethene, tetrafluoro-
Ethylene, tetrafluoro-
Tetrafluorethen [German] [ACD/IUPAC Name]
Tetrafluoroethene [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

81377_FLUKA [DBID]
UN1081 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless gas Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Reactive when heated. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar 44184, A12613
      Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      WARNING: Irreversible damage risk, protect skin/eyes/lungs. Alfa Aesar 44184, A12613
  • Gas Chromatography
    • Retention Index (Kovats):

      74 (estimated with error: 34) NIST Spectra mainlib_19857, replib_1130
    • Retention Index (Normal Alkane):

      177 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column length: 2 m; Column type: Packed; Heat rate: 5 K/min; Start T: 50 C; End T: 220 C; End time: 0 min; Start time: 0 min; CAS no: 116143; Active phase: Porapack Q; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Konukhova, S.V., Gas Chromatographic Identification of Ecologically Safe Freones, Vestn. of St. Petersburg Univ. (Rus.), , 1992, 66-70, In original 66-70., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 116143; Active phase: Porapack Q; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 13(1), 2004, 22-28.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: -76.3±0.0 °C at 760 mmHg
Vapour Pressure: 19951.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 17.8±3.0 kJ/mol
Flash Point: -119.7±7.1 °C
Index of Refraction: 1.242
Molar Refractivity: 11.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.09
ACD/KOC (pH 5.5): 169.00
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.09
ACD/KOC (pH 7.4): 169.00
Polar Surface Area: 0 Å2
Polarizability: 4.6±0.5 10-24cm3
Surface Tension: 8.1±3.0 dyne/cm
Molar Volume: 76.6±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -31.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -161.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.42E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -142.5 deg C
    BP  (exp database):  -75.9 deg C
    VP  (exp database):  2.45E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.074e+004
       log Kow used: 1.21 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  159 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19790 mg/L
    Wat Sol (Exper. database match) =  159.00
       Exper. Ref:  HORVATH,AL (1982)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.28E-001  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 6.29E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.313E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.21  (KowWin est)
  Log Kaw used:  1.410  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  -0.200
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6999
   Biowin2 (Non-Linear Model)     :   0.8304
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9781  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7034  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4841
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  3.27E+006 Pa (2.45E+004 mm Hg)
  Log Koa (Koawin est  ): -0.200
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.18E-013 
       Octanol/air (Koa) model:  1.55E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.32E-011 
       Mackay model           :  7.35E-011 
       Octanol/air (Koa) model:  1.24E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2139 E-12 cm3/molecule-sec
      Half-Life =    49.998 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.004480 E-17 cm3/molecule-sec
      Half-Life =   255.803 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 5.33E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  106.8
      Log Koc:  2.029 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.235 (BCF = 1.718)
       log Kow used: 1.21 (estimated)

 Volatilization from Water:
    Henry LC:  0.629 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.021  hours
    Half-Life from Model Lake :         95  hours   (3.958 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.59  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.29  percent
    Total to Air:               99.28  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       54.9            856          1000       
   Water     44.5            360          1000       
   Soil      0.529           720          1000       
   Sediment  0.0939          3.24e+003    0          
     Persistence Time: 138 hr


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