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ChemSpider 2D Image | N-Fluoromethanamine | CH4FN

N-Fluoromethanamine

  • Molecular FormulaCH4FN
  • Average mass49.048 Da
  • Monoisotopic mass49.032776 Da
  • ChemSpider ID11418438

More details:

Date of deprecation: 13:33, Feb 22, 2024
Reason for deprecation: Deprecate record: Testing Bad record 2

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.8±0.0 g/cm3
Boiling Point: -38.9±0.0 °C at 760 mmHg
Vapour Pressure: 7203.1±0.0 mmHg at 25°C
Enthalpy of Vaporization: 21.6±0.0 kJ/mol
Flash Point: -69.7±0.0 °C
Index of Refraction: 1.281
Molar Refractivity: 10.4±0.0 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.52
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.52
Polar Surface Area: 12 Å2
Polarizability: 4.1±0.0 10-24cm3
Surface Tension: 11.6±0.0 dyne/cm
Molar Volume: 59.3±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) =  -0.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -8.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -118.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.49E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.55e+005
       log Kow used: -0.72 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.59E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.838E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.72  (KowWin est)
  Log Kaw used:  -1.975  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.255
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7242
   Biowin2 (Non-Linear Model)     :   0.9099
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0908  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7770  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5840
   Biowin6 (MITI Non-Linear Model):   0.0542
 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):  3.23E+005 Pa (2.42E+003 mm Hg)
  Log Koa (Koawin est  ): 1.255
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.3E-012 
       Octanol/air (Koa) model:  4.42E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.36E-010 
       Mackay model           :  7.44E-010 
       Octanol/air (Koa) model:  3.53E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.2648 E-12 cm3/molecule-sec
      Half-Life =     8.457 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   101.480 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.4E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  17.84
      Log Koc:  1.251 

 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: -0.72 (estimated)

 Volatilization from Water:
    Henry LC:  0.000259 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.298  hours
    Half-Life from Model Lake :      83.79  hours   (3.491 days)

 Removal In Wastewater Treatment:
    Total removal:              12.55  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.59  percent
    Total to Air:               10.88  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       24.1            203          1000       
   Water     45.8            360          1000       
   Soil      30              720          1000       
   Sediment  0.0838          3.24e+003    0          
     Persistence Time: 206 hr

Click to predict properties on the Chemicalize site


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