ChemSpider 2D Image | 1,1,2,2-Tetrafluoroethane | C2H2F4

1,1,2,2-Tetrafluoroethane

  • Molecular FormulaC2H2F4
  • Average mass102.031 Da
  • Monoisotopic mass102.009262 Da
  • ChemSpider ID9286

More details:

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

1,1,2,2-Tetrafluorethan [German] [ACD/IUPAC Name]
1,1,2,2-Tetrafluoroethane [ACD/IUPAC Name]
1,1,2,2-Tétrafluoroéthane [French] [ACD/IUPAC Name]
206-628-3 [EINECS]
359-35-3 [RN]
a,w-Dihydroperfluoroethane
Ethane, 1,1,2,2-tetrafluoro- [ACD/Index Name]
"1,1,2,2-TETRAFLUOROETHANE"
[3-(dimethylcarbamoyl)-5-fluoro-phenyl]boronic acid
1,1,2,2-tetrafluoroetano
More...

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

F 134 [DBID]
FC 134 [DBID]
Freon 134 [DBID]
Fron 134 [DBID]
HFC 134 [DBID]
R 134 [DBID]
X2I96B6OVW [DBID]
UNII:X2I96B6OVW [DBID]
UNII-X2I96B6OVW [DBID]
  • Experimental Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Normal Alkane):

      284 (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: 359353; 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, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: -23.3±8.0 °C at 760 mmHg
Vapour Pressure: 3919.5±0.0 mmHg at 25°C
Enthalpy of Vaporization: 22.0±3.0 kJ/mol
Flash Point: -64.0±7.1 °C
Index of Refraction: 1.222
Molar Refractivity: 11.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 69.28
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.28
Polar Surface Area: 0 Å2
Polarizability: 4.7±0.5 10-24cm3
Surface Tension: 8.7±3.0 dyne/cm
Molar Volume: 84.1±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) =  0.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -59.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -168.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.33E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -89 deg C
    BP  (exp database):  -19.9 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3294
       log Kow used: 0.94 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3706 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.53E+000  atm-m3/mole
   Group Method:   9.74E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.097E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.94  (KowWin est)
  Log Kaw used:  1.796  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.856
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6990
   Biowin2 (Non-Linear Model)     :   0.8263
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9737  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7005  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3768
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5044
 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):  4.2E+005 Pa (3.15E+003 mm Hg)
  Log Koa (Koawin est  ): -0.856
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.14E-012 
       Octanol/air (Koa) model:  3.42E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.58E-010 
       Mackay model           :  5.71E-010 
       Octanol/air (Koa) model:  2.74E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0045 E-12 cm3/molecule-sec
      Half-Life =  2399.883 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.15E-010 (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]:
  Total Kb for pH > 8 at 25 deg C :  7.814E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.811  years  
  Kb Half-Life at pH 7:      28.108  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.94 (estimated)

 Volatilization from Water:
    Henry LC:  0.000974 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.638  hours
    Half-Life from Model Lake :      102.6  hours   (4.274 days)

 Removal In Wastewater Treatment:
    Total removal:              30.27  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.35  percent
    Total to Air:               28.85  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       42.8            4.43e+004    1000       
   Water     41.1            360          1000       
   Soil      16              720          1000       
   Sediment  0.0815          3.24e+003    0          
     Persistence Time: 177 hr


 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -59.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -168.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.33E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -89 deg C
    BP  (exp database):  -19.9 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3294
       log Kow used: 0.94 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3706 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.53E+000  atm-m3/mole
   Group Method:   9.74E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.097E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.94  (KowWin est)
  Log Kaw used:  1.796  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.856
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6990
   Biowin2 (Non-Linear Model)     :   0.8263
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9737  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7005  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3768
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5044
 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):  4.2E+005 Pa (3.15E+003 mm Hg)
  Log Koa (Koawin est  ): -0.856
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.14E-012 
       Octanol/air (Koa) model:  3.42E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.58E-010 
       Mackay model           :  5.71E-010 
       Octanol/air (Koa) model:  2.74E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0045 E-12 cm3/molecule-sec
      Half-Life =  2399.883 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.15E-010 (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]:
  Total Kb for pH > 8 at 25 deg C :  7.814E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.811  years  
  Kb Half-Life at pH 7:      28.108  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.94 (estimated)

 Volatilization from Water:
    Henry LC:  0.000974 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.638  hours
    Half-Life from Model Lake :      102.6  hours   (4.274 days)

 Removal In Wastewater Treatment:
    Total removal:              30.27  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.35  percent
    Total to Air:               28.85  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       42.8            4.43e+004    1000       
   Water     41.1            360          1000       
   Soil      16              720          1000       
   Sediment  0.0815          3.24e+003    0          
     Persistence Time: 177 hr

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