ChemSpider 2D Image | fluromethane | CH3F

fluromethane

  • Molecular FormulaCH3F
  • Average mass34.033 Da
  • Monoisotopic mass34.021877 Da
  • ChemSpider ID11148

More details:






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

209-796-6 [EINECS]
593-53-3 [RN]
CH3F [Formula]
Fluormethan [German] [ACD/IUPAC Name]
Fluoromethane [ACD/IUPAC Name]
Fluorométhane [French] [ACD/IUPAC Name]
fluromethane
Methane, fluoro- [ACD/Index Name]
Methyl fluoride
More...

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

F 41 [DBID]
HFC 41 [DBID]
R 41 [DBID]
UN 2454 [DBID]
c0354 [DBID]
C11147 [DBID]
CHEBI:28826 [DBID]
FREON 41 [DBID]
MFCD00039282 [DBID]
UN2454 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless gas with an ether-like odour Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Extremely flammable. Incompatible withstrong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Flammable SynQuest 1100-3-01, 20878
      Highly Flammable/Irritant SynQuest 1100-3-01
      R12 SynQuest 1100-3-01, 20878
      S9,S16,S23,S24/25,S33,S36/37/39,S45 SynQuest 1100-3-01, 20878
      Safety glasses, good ventilation. Remove sources of ignitionfrom the working area. Oxford University Chemical Safety Data (No longer updated) More details
    • Chemical Class:

      A member of the class of fluoromethanes that is methane in which a single hydrogen is substituted by a fluorine atom. ChEBI CHEBI:28826
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      217 (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: 593533; 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
      173 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 593533; 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: 0.7±0.1 g/cm3
Boiling Point: -78.2±0.0 °C at 760 mmHg
Vapour Pressure: 21083.0±0.1 mmHg at 25°C
Enthalpy of Vaporization: 17.7±3.0 kJ/mol
Flash Point: -103.5±10.2 °C
Index of Refraction: 1.213
Molar Refractivity: 6.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 46.07
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 46.07
Polar Surface Area: 0 Å2
Polarizability: 2.7±0.5 10-24cm3
Surface Tension: 6.8±3.0 dyne/cm
Molar Volume: 50.5±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) =  0.77
    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):  -62.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -160.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.52E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -141.8 deg C
    BP  (exp database):  -78.4 deg C
    VP  (exp database):  2.85E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.412e+004
       log Kow used: 0.51 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.27e+004 mg/L (20 deg C)
        Exper. Ref:  HORVATH,AL (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20038 mg/L
    Wat Sol (Exper. database match) =  22700.00
       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 :   1.64E-002  atm-m3/mole
   Group Method:   1.69E-002  atm-m3/mole
   Exper Database: 1.70E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.713E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.51  (exp database)
  Log Kaw used:  -0.158  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.668
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7313
   Biowin2 (Non-Linear Model)     :   0.9259
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1240  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7986  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6287
   Biowin6 (MITI Non-Linear Model):   0.0813
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  3.8E+005 Pa (2.85E+003 mm Hg)
  Log Koa (Koawin est  ): 0.668
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.89E-012 
       Octanol/air (Koa) model:  1.14E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.85E-010 
       Mackay model           :  6.32E-010 
       Octanol/air (Koa) model:  9.14E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0128 E-12 cm3/molecule-sec
      Half-Life =   836.670 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.58E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.3
      Log Koc:  1.155 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  4.645E-007  L/mol-sec
  Kb Half-Life at pH 8: 4.728E+004  years  
  Kb Half-Life at pH 7: 4.728E+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:  0.017 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.6154  hours   (36.92 min)
    Half-Life from Model Lake :      55.63  hours   (2.318 days)

 Removal In Wastewater Treatment:
    Total removal:              86.91  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.46  percent
    Total to Air:               86.43  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55.7            1.53e+004    1000       
   Water     42.7            360          1000       
   Soil      1.54            720          1000       
   Sediment  0.0804          3.24e+003    0          
     Persistence Time: 146 hr




                    

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