ChemSpider 2D Image | 1,2-Dichlorotetrafluoroethane | C2Cl2F4

1,2-Dichlorotetrafluoroethane

  • Molecular FormulaC2Cl2F4
  • Average mass170.921 Da
  • Monoisotopic mass169.931320 Da
  • ChemSpider ID13853215

More details:






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

1,2-Dichlorotetrafluoroethane
1,2-Dichlor-1,1,2,2-tetrafluorethan [German] [ACD/IUPAC Name]
1,2-dichloro-1,1,2,2-tetrafluorethane
1,2-Dichloro-1,1,2,2-tetrafluoroethane [ACD/IUPAC Name]
1,2-Dichloro-1,1,2,2-tétrafluoroéthane [French] [ACD/IUPAC Name]
1320-37-2 [RN]
215-300-9 [EINECS]
668
criofluorano [Spanish] [INN]
cryofluorane [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6B5VVT93AR [DBID]
Freon 114 [DBID]
295248_ALDRICH [DBID]
BRN 1740333 [DBID]
Caswell No. 326A [DBID]
CCRIS 8973 [DBID]
CFC 114 [DBID]
CFC-114 [DBID]
D03790 [DBID]
EPA Pesticide Chemical Code 326200 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with a faint, ether-like odor at high concentrations. [Note: A liquid below 38F. Shipped as a liquefied compressed gas.] NIOSH KI1101000
    • First-Aid:

      Eye: Frostbite Skin: Frostbite Breathing: Respiratory support NIOSH KI1101000
    • Exposure Routes:

      inhalation, skin and/or eye contact (liquid) NIOSH KI1101000
    • Symptoms:

      Irritation respiratory system; asphyxia; cardiac arrhythmias, cardiac arrest; liquid: frostbite NIOSH KI1101000
    • Target Organs:

      respiratory system, cardiovascular system NIOSH KI1101000
    • Incompatibility:

      Chemically-active metals such as sodium, potassium, calcium, powdered aluminum, zinc & magnesium; acids; acid fumes NIOSH KI1101000
    • Personal Protection:

      Skin: Frostbite Eyes: Frostbite Wash skin: No recommendation Remove: No recommendation Change: No recommendation Provide: Frostbite wash NIOSH KI1101000
    • Exposure Limits:

      NIOSH REL : TWA 1000 ppm (7000 mg/m 3 ) OSHA PEL : TWA 1000 ppm (7000 mg/m 3 ) NIOSH KI1101000
  • Gas Chromatography
    • Retention Index (Kovats):

      257 (estimated with error: 89) NIST Spectra mainlib_6721, replib_22041, replib_150908
    • Retention Index (Normal Alkane):

      350.5 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Description: 40C(4min)=>(7C/min)=>190C=>(10C/min)=>250C; CAS no: 76142; Active phase: DB-1; Carrier gas: He; Phase thickness: 1 um; Data type: Normal alkane RI; Authors: Lee, J.-H.; Hwang, S.M.; Lee, D.W.; Heo, G.S., Determination of volatile organic compounds (VOCs) using tedlar bag/solid-phase microextraction/gas chromatography/mass spectrometry (SPME/GC/MS) in ambient and workplace air, Bull. Korean Chem. Soc., 23(3), 2002, 488-496.) NIST Spectra nist ri
      359 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.22 mm; Column length: 50 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 200 C; CAS no: 76142; Active phase: BP-1; Carrier gas: He; Phase thickness: 0.75 um; Data type: Normal alkane RI; Authors: Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography, in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24.) NIST Spectra nist ri
      352 (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: 76142; 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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 3.8±0.0 °C at 760 mmHg
Vapour Pressure: 1593.2±0.0 mmHg at 25°C
Enthalpy of Vaporization: 24.2±3.0 kJ/mol
Flash Point: -46.3±11.9 °C
Index of Refraction: 1.329
Molar Refractivity: 21.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.75
ACD/KOC (pH 5.5): 665.81
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.75
ACD/KOC (pH 7.4): 665.81
Polar Surface Area: 0 Å2
Polarizability: 8.6±0.5 10-24cm3
Surface Tension: 17.4±3.0 dyne/cm
Molar Volume: 106.2±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) =  2.78
    Log Kow (Exper. database match) =  2.82
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  7.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -101.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.63E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -94 deg C
    BP  (exp database):  3.8 deg C
    VP  (exp database):  2.01E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  43.07
       log Kow used: 2.82 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  130 mg/L (25 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  148.71 mg/L
    Wat Sol (Exper. database match) =  130.00
       Exper. Ref:  RIDDICK,JA ET AL. (1986)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.51E+000  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 2.80E+00  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.968E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.82  (exp database)
  Log Kaw used:  2.059  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.761
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0755
   Biowin2 (Non-Linear Model)     :   0.0014
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0509  (months      )
   Biowin4 (Primary Survey Model) :   3.0930  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4106
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1383
 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):  2.68E+005 Pa (2.01E+003 mm Hg)
  Log Koa (Koawin est  ): 0.761
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.12E-011 
       Octanol/air (Koa) model:  1.42E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.04E-010 
       Mackay model           :  8.96E-010 
       Octanol/air (Koa) model:  1.13E-010 

 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): 6.5E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  224.7
      Log Koc:  2.352 

 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 = 1.471 (BCF = 29.61)
       log Kow used: 2.82 (expkow database)

 Volatilization from Water:
    Henry LC:  2.8 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.334  hours
    Half-Life from Model Lake :      124.2  hours   (5.174 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.91  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:               98.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.4            1e+005       1000       
   Water     48.3            1.44e+003    1000       
   Soil      0.502           2.88e+003    1000       
   Sediment  0.8             1.3e+004     0          
     Persistence Time: 173 hr




                    

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