ChemSpider 2D Image | perfluoromethane | CF4

perfluoromethane

  • Molecular FormulaCF4
  • Average mass88.004 Da
  • Monoisotopic mass87.993614 Da
  • ChemSpider ID6153

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

200-896-5 [EINECS]
Carbon tetrafluoride
Methane, tetrafluoro- [ACD/Index Name]
perfluoromethane
Tetrafluormethan [German] [ACD/IUPAC Name]
Tetrafluoromethane [ACD/IUPAC Name]
Tétrafluorométhane [French] [ACD/IUPAC Name]
51311-17-2 [RN]
75-71-8 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

295736_ALDRICH [DBID]
CFC 14 [DBID]
F 14 [DBID]
FC 14 [DBID]
FREON 14 [DBID]
Halon 14 [DBID]
HSDB 1327 [DBID]
MFCD00000371 [DBID]
R 14 [DBID]
UN1982 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless gas Oxford University Chemical Safety Data (No longer updated) More details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

      Stable. Incompatible with zinc, alkaline earth metals, Group I metals, aluminium and its alloys. Non-flammable. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      COMPRESSED GAS Matrix Scientific 006350
      Ensure adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Non-flammable SynQuest 1100-2-01, 5711
      R44 SynQuest 1100-2-01, 5711
      S9,S23,S24/25,S26,S36/37/39,S38,S45,S47 SynQuest 1100-2-01, 5711
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      82 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 75730; 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
      88 (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: 75730; 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.) 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: -127.8±0.0 °C at 760 mmHg
Vapour Pressure: 82616.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 13.9±3.0 kJ/mol
Flash Point: -167.3±7.1 °C
Index of Refraction: 1.169
Molar Refractivity: 7.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.20
ACD/KOC (pH 5.5): 113.24
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.20
ACD/KOC (pH 7.4): 113.24
Polar Surface Area: 0 Å2
Polarizability: 2.9±0.5 10-24cm3
Surface Tension: 6.1±3.0 dyne/cm
Molar Volume: 66.9±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) =  1.19
    Log Kow (Exper. database match) =  1.18
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -83.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -164.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.97E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -183.5 deg C
    BP  (exp database):  -128 deg C
    VP  (exp database):  1.75E+05 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2239
       log Kow used: 1.18 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  18.8 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3236.6 mg/L
    Wat Sol (Exper. database match) =  18.80
       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 :   4.59E+000  atm-m3/mole
   Group Method:   1.17E-004  atm-m3/mole
   Exper Database: 5.15E+00  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.930E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.18  (exp database)
  Log Kaw used:  2.323  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  -1.143
      Log Koa (experimental database):  -0.950

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5217
   Biowin2 (Non-Linear Model)     :   0.5090
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7926  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5673  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5875
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5019
 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):  2.33E+007 Pa (1.75E+005 mm Hg)
  Log Koa (Exp database): -0.950
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.29E-013 
       Octanol/air (Koa) model:  2.75E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.64E-012 
       Mackay model           :  1.03E-011 
       Octanol/air (Koa) model:  2.2E-012 

 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): 7.46E-012 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.209 (BCF = 1.617)
       log Kow used: 1.18 (expkow database)

 Volatilization from Water:
    Henry LC:  5.15 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.9574  hours   (57.44 min)
    Half-Life from Model Lake :       89.1  hours   (3.713 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.95  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.28  percent
    Total to Air:               99.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.8            1e+005       1000       
   Water     42.6            360          1000       
   Soil      0.47            720          1000       
   Sediment  0.0892          3.24e+003    0          
     Persistence Time: 144 hr


 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.19
    Log Kow (Exper. database match) =  1.18
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -83.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -164.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.97E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -183.5 deg C
    BP  (exp database):  -128 deg C
    VP  (exp database):  1.75E+05 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2239
       log Kow used: 1.18 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  18.8 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3236.6 mg/L
    Wat Sol (Exper. database match) =  18.80
       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 :   4.59E+000  atm-m3/mole
   Group Method:   1.17E-004  atm-m3/mole
   Exper Database: 5.15E+00  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.930E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.18  (exp database)
  Log Kaw used:  2.323  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  -1.143
      Log Koa (experimental database):  -0.950

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5217
   Biowin2 (Non-Linear Model)     :   0.5090
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7926  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5673  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5875
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5019
 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):  2.33E+007 Pa (1.75E+005 mm Hg)
  Log Koa (Exp database): -0.950
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.29E-013 
       Octanol/air (Koa) model:  2.75E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.64E-012 
       Mackay model           :  1.03E-011 
       Octanol/air (Koa) model:  2.2E-012 

 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): 7.46E-012 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.209 (BCF = 1.617)
       log Kow used: 1.18 (expkow database)

 Volatilization from Water:
    Henry LC:  5.15 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.9574  hours   (57.44 min)
    Half-Life from Model Lake :       89.1  hours   (3.713 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.95  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.28  percent
    Total to Air:               99.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.8            1e+005       1000       
   Water     42.6            360          1000       
   Soil      0.47            720          1000       
   Sediment  0.0892          3.24e+003    0          
     Persistence Time: 144 hr




                    

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