ChemSpider 2D Image | DICHLORODIFLUOROMETHANE | CCl2F2

DICHLORODIFLUOROMETHANE

  • Molecular FormulaCCl2F2
  • Average mass120.913 Da
  • Monoisotopic mass119.934509 Da
  • ChemSpider ID6151

More details:






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

DICHLORODIFLUOROMETHANE [NF] [Wiki]
75-71-8 [RN]
Carbon Dichloride Difluoride
Chladone 12
Dichlor(difluor)methan [German] [ACD/IUPAC Name]
Dichloro(difluoro)methane [ACD/IUPAC Name]
Dichloro(difluoro)méthane [French] [ACD/IUPAC Name]
dichlorodifluormethane
Frigen R12
khladon 12
More...

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

CF 12 [DBID]
Fron 12 [DBID]
HC 12 [DBID]
R 12 [DBID]
SDD 100 [DBID]
UN 1028 [DBID]
AI3-01708 [DBID]
Caswell No. 304 [DBID]
CCRIS 3501 [DBID]
CFC 12 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with an ether-like odor at extremely high concentrations. [Note: Shipped as a liquefied compressed gas.] NIOSH PA8200000
      colourless odourless gas Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Non-flammable. May react violently with aluminium. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      R23,R24/25,S26,S36/37/39,S45,S59,S61 SynQuest 1100-6-02
      R44,R48,R59,R67 SynQuest 1100-6-02
    • First-Aid:

      Eye: Frostbite Skin: Frostbite Breathing: Respiratory support NIOSH PA8200000
    • Exposure Routes:

      inhalation, skin and/or eye contact (liquid) NIOSH PA8200000
    • Symptoms:

      Dizziness, tremor, asphyxia, unconsciousness, cardiac arrhythmias, cardiac arrest; liquid: frostbite NIOSH PA8200000
    • Target Organs:

      cardiovascular system, peripheral nervous system NIOSH PA8200000
    • Incompatibility:

      Chemically-active metals such as sodium, potassium, calcium, powdered aluminum, zinc & magnesium NIOSH PA8200000
    • Personal Protection:

      Skin: Frostbite Eyes: Frostbite Wash skin: No recommendation Remove: No recommendation Change: No recommendation Provide: Frostbite wash NIOSH PA8200000
    • Exposure Limits:

      NIOSH REL : TWA 1000 ppm (4950 mg/m 3 ) OSHA PEL : TWA 1000 ppm (4950 mg/m 3 ) NIOSH PA8200000
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      314 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Description: -50 0C (2 min) ^ 8 0C/min -> 200 0C (7.75 min) ^ 25 0C -> 225 0C (8 min); CAS no: 75718; Active phase: Methyl Silicone; Carrier gas: Helium; Phase thickness: 1.0 um; Data type: Normal alkane RI; Authors: Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 39, 2005, 6707-6718.) NIST Spectra nist ri
      319.2 (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: 75718; 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
      311 (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: 75718; 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: 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: 75718; 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
      299.9 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.53 mm; Column type: Capillary; Heat rate: 4 K/min; Start T: 35 C; End T: 220 C; End time: 2 min; Start time: 10 min; CAS no: 75718; Active phase: RTX-1; Carrier gas: He; Phase thickness: 3 um; Data type: Normal alkane RI; Authors: Restek, Restek International, 1999 Product Guide, 1(1), 1999, 578-591, In original 578-591.) NIST Spectra nist ri
      313 (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: 75718; 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
      305 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75718; Active phase: OV-1; Data type: Normal alkane RI; Authors: Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 240, 1982, 423-444.) NIST Spectra nist ri
      320 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 75718; 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: 1.5±0.1 g/cm3
Boiling Point: -29.8±0.0 °C at 760 mmHg
Vapour Pressure: 4825.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 21.5±3.0 kJ/mol
Flash Point: -74.0±11.9 °C
Index of Refraction: 1.344
Molar Refractivity: 16.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.16
ACD/KOC (pH 5.5): 309.37
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.16
ACD/KOC (pH 7.4): 309.37
Polar Surface Area: 0 Å2
Polarizability: 6.6±0.5 10-24cm3
Surface Tension: 18.3±3.0 dyne/cm
Molar Volume: 78.8±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) =  1.82
    Log Kow (Exper. database match) =  2.16
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  2.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -110.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.84E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -158 deg C
    BP  (exp database):  -29.8 deg C
    VP  (exp database):  4.85E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  258
       log Kow used: 2.16 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  280 mg/L (25 deg C)
        Exper. Ref:  SMART,BE (1980)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2452.8 mg/L
    Wat Sol (Exper. database match) =  280.00
       Exper. Ref:  SMART,BE (1980)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.87E-001  atm-m3/mole
   Group Method:   3.62E-001  atm-m3/mole
   Exper Database: 3.43E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.686E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.16  (exp database)
  Log Kaw used:  1.147  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.013
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2833
   Biowin2 (Non-Linear Model)     :   0.0157
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3735  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3186  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4570
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4725
 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):  6.47E+005 Pa (4.85E+003 mm Hg)
  Log Koa (Koawin est  ): 1.013
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.64E-012 
       Octanol/air (Koa) model:  2.53E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.68E-010 
       Mackay model           :  3.71E-010 
       Octanol/air (Koa) model:  2.02E-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): 2.69E-010 (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 = 0.963 (BCF = 9.188)
       log Kow used: 2.16 (expkow database)

 Volatilization from Water:
    Henry LC:  0.343 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.124  hours
    Half-Life from Model Lake :      104.5  hours   (4.353 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.25  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.60  percent
    Total to Air:               98.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       52              1e+005       1000       
   Water     47.2            900          1000       
   Soil      0.654           1.8e+003     1000       
   Sediment  0.223           8.1e+003     0          
     Persistence Time: 166 hr




                    

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