ChemSpider 2D Image | Chlorofluoromethane | CH2ClF

Chlorofluoromethane

  • Molecular FormulaCH2ClF
  • Average mass68.478 Da
  • Monoisotopic mass67.982903 Da
  • ChemSpider ID11153

More details:






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

209-803-2 [EINECS]
593-70-4 [RN]
Chlor(fluor)methan [German] [ACD/IUPAC Name]
Chloro(fluoro)methane [ACD/IUPAC Name]
Chloro(fluoro)méthane [French] [ACD/IUPAC Name]
Chlorofluoromethane
Methane, chlorofluoro- [ACD/Index Name]
99.5% 2M in DMF
CClF
CH2ClF
More...

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

CUM8OUO53E [DBID]
F 31 [DBID]
HCFC 31 [DBID]
BRN 1730796 [DBID]
CCRIS 136 [DBID]
CFC 31 [DBID]
FC 31 [DBID]
Freon 31 [DBID]
G 31 [DBID]
HCFC-31 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      374 (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: 593704; 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
      324 (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: 593704; 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: 1.1±0.1 g/cm3
Boiling Point: -10.8±8.0 °C at 760 mmHg
Vapour Pressure: 2603.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.0±3.0 kJ/mol
Flash Point: -89.8±5.3 °C
Index of Refraction: 1.304
Molar Refractivity: 11.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 66.27
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.46
ACD/KOC (pH 7.4): 66.27
Polar Surface Area: 0 Å2
Polarizability: 4.6±0.5 10-24cm3
Surface Tension: 14.1±3.0 dyne/cm
Molar Volume: 61.9±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) =  1.03
    Log Kow (Exper. database match) =  0.51
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  13.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -123.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.53E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -133 deg C
    BP  (exp database):  -9.1 deg C
    VP  (exp database):  2.45E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.983e+004
       log Kow used: 0.51 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.04e+004 mg/L (25 deg C)
        Exper. Ref:  HINE,J & MOOKERJEE,PK (1975)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12663 mg/L
    Wat Sol (Exper. database match) =  10400.00
       Exper. Ref:  HINE,J & MOOKERJEE,PK (1975)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.16E-002  atm-m3/mole
   Group Method:   6.58E-003  atm-m3/mole
   Exper Database: 6.59E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.374E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.51  (exp database)
  Log Kaw used:  -0.570  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.080
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6036
   Biowin2 (Non-Linear Model)     :   0.5457
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8747  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6483  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5763
   Biowin6 (MITI Non-Linear Model):   0.0254
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8474
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.27E+005 Pa (2.45E+003 mm Hg)
  Log Koa (Koawin est  ): 1.080
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.18E-012 
       Octanol/air (Koa) model:  2.95E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.32E-010 
       Mackay model           :  7.35E-010 
       Octanol/air (Koa) model:  2.36E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0334 E-12 cm3/molecule-sec
      Half-Life =   320.599 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.33E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.549E-007  L/mol-sec
  Kb Half-Life at pH 8: 8.617E+004  years  
  Kb Half-Life at pH 7: 8.617E+005  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.51 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00659 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      0.918  hours   (55.08 min)
    Half-Life from Model Lake :       79.4  hours   (3.308 days)

 Removal In Wastewater Treatment:
    Total removal:              72.32  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     0.68  percent
    Total to Air:               71.60  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       54              5.82e+003    1000       
   Water     42.7            360          1000       
   Soil      3.17            720          1000       
   Sediment  0.0805          3.24e+003    0          
     Persistence Time: 148 hr




                    

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