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


  • Molecular FormulaC2H2F4
  • Average mass102.031 Da
  • Monoisotopic mass102.009262 Da
  • ChemSpider ID12577

More details:

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

1,1,1,2-Tetrafluorethan [German] [ACD/IUPAC Name]
1,1,1,2-Tetrafluoroethane [ACD/IUPAC Name] [Wiki]
1,1,1,2-Tétrafluoroéthane [French] [ACD/IUPAC Name]
212-377-0 [EINECS]
29759-38-4 [RN]
811-97-2 [RN]
AK 134a
Ethane, 1,1,1,2-tetrafluoro- [ACD/Index Name]

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

2401 [DBID]
MFCD00066608 [DBID]
HSDB 6756 [DBID]
UN3159 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless gas or cryogenic liquid with an ether-like odour OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. May cause damage to the atmosphere. Incompatible with active metals,strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details
    • Safety:

      Adequate ventilation. Protective gloves if handling cryogenic liquid. OU Chemical Safety Data (No longer updated) More details
      COMPRESSED GAS Matrix Scientific 003472
      Irritant SynQuest 1100-3-09, 25461
      R44 SynQuest 1100-3-09, 25461
      S9,S23,S24/25,S26,S36/37/39,S38,S45,S47 SynQuest 1100-3-09, 25461
  • Gas Chromatography
    • Retention Index (Kovats):

      27 (estimated with error: 34) NIST Spectra mainlib_298494, replib_1232
    • Retention Index (Normal Alkane):

      219 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 60 m; Column type: Capillary; Description: 40C(6min)=>5C/min=>80C=>10C/min=>200C; CAS no: 811972; Active phase: SPB-1; Carrier gas: He; Phase thickness: 5 um; Data type: Normal alkane RI; Authors: Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56.) NIST Spectra nist ri
      261 (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: 811972; 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: 1.2±0.1 g/cm3
Boiling Point: -39.8±8.0 °C at 760 mmHg
Vapour Pressure: 6631.9±0.0 mmHg at 25°C
Enthalpy of Vaporization: 20.7±3.0 kJ/mol
Flash Point: -84.4±7.1 °C
Index of Refraction: 1.225
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: 0.77
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.15
ACD/KOC (pH 5.5): 96.39
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.15
ACD/KOC (pH 7.4): 96.39
Polar Surface Area: 0 Å2
Polarizability: 4.7±0.5 10-24cm3
Surface Tension: 9.1±3.0 dyne/cm
Molar Volume: 83.4±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) =  1.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -53.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -150.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.98E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -101 deg C
    BP  (exp database):  -26 deg C
    VP  (exp database):  4.99E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  767.8
       log Kow used: 1.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1089.7 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:   Incomplete
   Exper Database: 5.00E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.329E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.68  (KowWin est)
  Log Kaw used:  0.311  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.369
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1786
   Biowin2 (Non-Linear Model)     :   0.0161
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4607  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4261  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5275
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8621
 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):  6.65E+005 Pa (4.99E+003 mm Hg)
  Log Koa (Koawin est  ): 1.369
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.51E-012 
       Octanol/air (Koa) model:  5.74E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.63E-010 
       Mackay model           :  3.61E-010 
       Octanol/air (Koa) model:  4.59E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0062 E-12 cm3/molecule-sec
      Half-Life =  1715.884 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.62E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  96.63
      Log Koc:  1.985 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.646E-007  L/mol-sec
  Kb Half-Life at pH 8: 8.299E+004  years  
  Kb Half-Life at pH 7: 8.299E+005  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.594 (BCF = 3.923)
       log Kow used: 1.68 (estimated)

 Volatilization from Water:
    Henry LC:  0.05 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.043  hours
    Half-Life from Model Lake :      96.07  hours   (4.003 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.10  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.44  percent
    Total to Air:               94.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       51.6            5.24e+004    1000       
   Water     47.1            900          1000       
   Soil      1.16            1.8e+003     1000       
   Sediment  0.134           8.1e+003     0          
     Persistence Time: 167 hr


Click to predict properties on the Chemicalize site