ChemSpider 2D Image | Chlorodifluoromethane | CHClF2

Chlorodifluoromethane

  • Molecular FormulaCHClF2
  • Average mass86.468 Da
  • Monoisotopic mass85.973480 Da
  • ChemSpider ID6132

More details:






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

Chlorodifluoromethane [Wiki]
75-45-6 [RN]
algofrene 6
Chlor(difluor)methan [German] [ACD/IUPAC Name]
Chloro(difluoro)methane [ACD/IUPAC Name]
Chloro(difluoro)méthane [French] [ACD/IUPAC Name]
Methane, chlorodifluoro- [ACD/Index Name]
REFRIGERANT 22
200-871-9 [EINECS]
4-01-00-00024 [Beilstein]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Fron 22 [DBID]
HFA 22 [DBID]
R 22 [DBID]
BRN 1731035 [DBID]
BRN 1731036 [DBID]
c0802 [DBID]
CCRIS 858 [DBID]
CFC 22 [DBID]
CHEBI:24073 [DBID]
Dymel 22 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with a faint, sweetish odor. [Note: Shipped as a liquefied compressed gas.] NIOSH PA6390000
      colourless gas Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Dangerous for ozone layer SynQuest 1100-7-03, 52168
      Minimize contact. Use in well-ventilated area.Do not release into the environment, due to the effectwhich CFCs have on the high-level atmosphere. Oxford University Chemical Safety Data (No longer updated) More details
      R44,R59 SynQuest 1100-7-03, 52168
      S9,S24/25,S26,S36/37/39,S45,S47,S61 SynQuest 1100-7-03, 52168
    • First-Aid:

      Eye: Frostbite Skin: Frostbite Breathing: Respiratory support NIOSH PA6390000
    • Exposure Routes:

      inhalation, skin and/or eye contact (liquid) NIOSH PA6390000
    • Symptoms:

      Irritation respiratory system; confusion, drowsiness, ringing in ears; heart palpitations, cardiac arrhythmias; asphyxia; liver, kidney, spleen injury; liquid: frostbite NIOSH PA6390000
    • Target Organs:

      respiratory system, cardiovascular system, central nervous system, liver, kidneys, spleen NIOSH PA6390000
    • Incompatibility:

      Alkalis, alkaline earth metals (e.g., powdered aluminum, sodium, potassium, zinc) NIOSH PA6390000
    • Personal Protection:

      Skin: Frostbite Eyes: Frostbite Wash skin: No recommendation Remove: No recommendation Change: No recommendation Provide: Frostbite wash NIOSH PA6390000
    • Exposure Limits:

      NIOSH REL : TWA 1000 ppm (3500 mg/m 3 ) ST 1250 ppm (4375 mg/m 3 ) OSHA PEL ?: none NIOSH PA6390000
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      305 (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: 75456; 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
      301 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 75456; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      258 (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: 75456; 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
      268 (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: 75456; 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: -38.1±8.0 °C at 760 mmHg
Vapour Pressure: 6292.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 20.8±3.0 kJ/mol
Flash Point: -89.4±11.9 °C
Index of Refraction: 1.278
Molar Refractivity: 11.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 78.11
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 78.11
Polar Surface Area: 0 Å2
Polarizability: 4.7±0.5 10-24cm3
Surface Tension: 12.3±3.0 dyne/cm
Molar Volume: 67.7±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) =  0.89
    Log Kow (Exper. database match) =  1.08
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -15.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -139.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.57E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -157.4 deg C
    BP  (exp database):  -40.7 deg C
    VP  (exp database):  7.25E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2748
       log Kow used: 1.08 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2770 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11333 mg/L
    Wat Sol (Exper. database match) =  2770.00
       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 :   1.03E-001  atm-m3/mole
   Group Method:   2.13E-002  atm-m3/mole
   Exper Database: 4.06E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.147E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.08  (exp database)
  Log Kaw used:  0.220  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.860
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5950
   Biowin2 (Non-Linear Model)     :   0.4820
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8349  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6224  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4401
   Biowin6 (MITI Non-Linear Model):   0.0002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6556
 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):  9.67E+005 Pa (7.25E+003 mm Hg)
  Log Koa (Koawin est  ): 0.860
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.1E-012 
       Octanol/air (Koa) model:  1.78E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.12E-010 
       Mackay model           :  2.48E-010 
       Octanol/air (Koa) model:  1.42E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0065 E-12 cm3/molecule-sec
      Half-Life =  1642.025 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.8E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  9.019E-001  L/mol-sec
  Kb Half-Life at pH 8:       8.895  days   
  Kb Half-Life at pH 7:      88.947  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.132 (BCF = 1.354)
       log Kow used: 1.08 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0406 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.9623  hours   (57.74 min)
    Half-Life from Model Lake :      88.47  hours   (3.686 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.37  percent
    Total to Air:               93.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.3            5.48e+004    1000       
   Water     42.6            360          1000       
   Soil      1.04            720          1000       
   Sediment  0.0867          3.24e+003    0          
     Persistence Time: 145 hr




                    

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