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ChemSpider 2D Image | Fluoro(methoxy)methane | C2H5FO

Fluoro(methoxy)methane

  • Molecular FormulaC2H5FO
  • Average mass64.059 Da
  • Monoisotopic mass64.032440 Da
  • ChemSpider ID10323069

More details:





Date of deprecation: 11:09, Feb 21, 2014
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Fluor(methoxy)methan [German] [ACD/IUPAC Name]
Fluoro(methoxy)methane [ACD/IUPAC Name]
Fluoro(méthoxy)méthane [French] [ACD/IUPAC Name]
Methane, fluoromethoxy- [ACD/Index Name]
Methyl perfluoromethyl ether
460-22-0 [RN]
fluoromethoxymethane
METHOXYMETHYL FLUORIDE
MFCD22053324

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

Density: 0.9±0.0 g/cm3
Boiling Point: -28.8±0.0 °C at 760 mmHg
Vapour Pressure: 4680.6±0.0 mmHg at 25°C
Enthalpy of Vaporization: 21.6±0.0 kJ/mol
Flash Point: -46.8±0.0 °C
Index of Refraction: 1.288
Molar Refractivity: 13.2±0.0 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.45
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.45
Polar Surface Area: 9 Å2
Polarizability: 5.2±0.0 10-24cm3
Surface Tension: 13.6±0.0 dyne/cm
Molar Volume: 73.4±0.0 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) =  0.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -3.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -127.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.03E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.348e+005
       log Kow used: 0.01 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0612e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.72E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.752E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.01  (KowWin est)
  Log Kaw used:  -1.153  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.163
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3697
   Biowin2 (Non-Linear Model)     :   0.2091
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0489  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7456  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5902
   Biowin6 (MITI Non-Linear Model):   0.0488
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5253
 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):  2.65E+005 Pa (1.99E+003 mm Hg)
  Log Koa (Koawin est  ): 1.163
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.13E-011 
       Octanol/air (Koa) model:  3.57E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.08E-010 
       Mackay model           :  9.05E-010 
       Octanol/air (Koa) model:  2.86E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.5628 E-12 cm3/molecule-sec
      Half-Life =    19.006 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.56E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.383
      Log Koc:  0.377 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.01 (estimated)

 Volatilization from Water:
    Henry LC:  0.00172 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.089  hours
    Half-Life from Model Lake :      78.99  hours   (3.291 days)

 Removal In Wastewater Treatment:
    Total removal:              42.06  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     1.14  percent
    Total to Air:               40.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       45.3            456          1000       
   Water     45.2            360          1000       
   Soil      9.43            720          1000       
   Sediment  0.0834          3.24e+003    0          
     Persistence Time: 151 hr




                    

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