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ChemSpider 2D Image | Hexafluoromethanediamine | CF6N2

Hexafluoromethanediamine

  • Molecular FormulaCF6N2
  • Average mass154.014 Da
  • Monoisotopic mass153.996567 Da
  • ChemSpider ID121856

More details:

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

Bis(difluoroamino)difluoromethane
Hexafluoromethanediamine
Methanediamine, N,N,N',N',1,1-hexafluoro- [ACD/Index Name]
N,N,N',N',1,1-Hexafluormethandiamin [German] [ACD/IUPAC Name]
N,N,N',N',1,1-Hexafluoromethanediamine [ACD/IUPAC Name]
N,N,N',N',1,1-Hexafluorométhanediamine [French] [ACD/IUPAC Name]
4394-93-8 [RN]
N,N,N,n-Hexafluoromethanediamine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 2.6±35.0 °C at 760 mmHg
Vapour Pressure: 1723.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 25.2±3.0 kJ/mol
Flash Point: -44.6±25.9 °C
Index of Refraction: 1.259
Molar Refractivity: 15.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.27
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.27
Polar Surface Area: 6 Å2
Polarizability: 6.0±0.5 10-24cm3
Surface Tension: 13.1±3.0 dyne/cm
Molar Volume: 92.3±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) =  -2.47

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -20.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -113.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.69E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -2.47 (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 :   1.33E+000  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.540E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.47  (KowWin est)
  Log Kaw used:  1.735  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -4.205
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4903
   Biowin2 (Non-Linear Model)     :   0.2887
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6467  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4721  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4258
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5019
 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):  4.64E+005 Pa (3.48E+003 mm Hg)
  Log Koa (Koawin est  ): -4.205
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.47E-012 
       Octanol/air (Koa) model:  1.53E-017 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.34E-010 
       Mackay model           :  5.17E-010 
       Octanol/air (Koa) model:  1.22E-015 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.75E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  276.6
      Log Koc:  2.442 

 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: -2.47 (estimated)

 Volatilization from Water:
    Henry LC:  1.33 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.267  hours
    Half-Life from Model Lake :      117.9  hours   (4.912 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.81  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.25  percent
    Total to Air:               99.54  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       52.2            1e+005       1000       
   Water     47.3            900          1000       
   Soil      0.418           1.8e+003     1000       
   Sediment  0.0908          8.1e+003     0          
     Persistence Time: 165 hr

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