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Search term: C2F8N4 (Found by molecular formula)
ChemSpider 2D Image | 3-Difluoroamino-1-(difluoroaminodifluoromethyl)-2,3-difluorodiaziridine | C2F8N4

3-Difluoroamino-1-(difluoroaminodifluoromethyl)-2,3-difluorodiaziridine

  • Molecular FormulaC2F8N4
  • Average mass232.035 Da
  • Monoisotopic mass231.999527 Da
  • ChemSpider ID4928192

More details:

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

1-[(Difluoramino)(difluor)methyl]-N,N,2,3-tetrafluor-3-diaziridinamin [German] [ACD/IUPAC Name]
1-[(Difluoroamino)(difluoro)methyl]-N,N,2,3-tetrafluoro-3-diaziridinamine [ACD/IUPAC Name]
1-[(Difluoroamino)(difluoro)méthyl]-N,N,2,3-tétrafluoro-3-diaziridinamine [French] [ACD/IUPAC Name]
1-Diaziridinemethanamine, 3-(difluoroamino)-N,N,α,α,2,3-hexafluoro- [ACD/Index Name]
3-Difluoroamino-1-(difluoroaminodifluoromethyl)-2,3-difluorodiaziridine

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

Density: 2.1±0.1 g/cm3
Boiling Point: 55.6±50.0 °C at 760 mmHg
Vapour Pressure: 233.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.9±3.0 kJ/mol
Flash Point: -12.5±30.1 °C
Index of Refraction: 1.374
Molar Refractivity: 25.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 50.83
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 50.83
Polar Surface Area: 13 Å2
Polarizability: 10.2±0.5 10-24cm3
Surface Tension: 24.8±5.0 dyne/cm
Molar Volume: 112.7±5.0 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) =  -4.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  85.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  69.9  (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: -4.43 (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:
       Hydrazines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.96E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.134E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -4.43  (KowWin est)
  Log Kaw used:  -0.096  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -4.334
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2692
   Biowin2 (Non-Linear Model)     :   0.0234
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2622  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2061  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2961
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1676
 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):  8.99E+003 Pa (67.4 mm Hg)
  Log Koa (Koawin est  ): -4.334
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.34E-010 
       Octanol/air (Koa) model:  1.14E-017 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.21E-008 
       Mackay model           :  2.67E-008 
       Octanol/air (Koa) model:  9.1E-016 

 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): 1.94E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1904
      Log Koc:  3.280 

 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: -4.43 (estimated)

 Volatilization from Water:
    Henry LC:  0.0196 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        1.6  hours
    Half-Life from Model Lake :      145.2  hours   (6.049 days)

 Removal In Wastewater Treatment:
    Total removal:              88.43  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.42  percent
    Total to Air:               87.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       51.4            1e+005       1000       
   Water     47.3            900          1000       
   Soil      1.15            1.8e+003     1000       
   Sediment  0.0908          8.1e+003     0          
     Persistence Time: 167 hr

Click to predict properties on the Chemicalize site


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