ChemSpider 2D Image | Bis[(trifluoromethyl)sulfonyl]azanide | C2F6NO4S2

Bis[(trifluoromethyl)sulfonyl]azanide

  • Molecular FormulaC2F6NO4S2
  • Average mass280.147 Da
  • Monoisotopic mass279.917847 Da
  • ChemSpider ID3387945

  • Charge - Charge

More details:

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

98837-98-0 [RN]
Bis(trifluoromethanesulfonyl)imide anion
Bis[(trifluormethyl)sulfonyl]azanid [German] [ACD/IUPAC Name]
Bis[(trifluoromethyl)sulfonyl]azanide [ACD/IUPAC Name]
Bis[(trifluorométhyl)sulfonyl]azanide [French] [ACD/IUPAC Name]
Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-, ion(1-) [ACD/Index Name]
Bis(perfluoromethylsulfonyl)imide anion
bis(trifluoromethylsulfonyl) amide
bistriflylimide anion
Tf2N(-)
  • Miscellaneous

    • Chemical Class:

      An imide anion in which the substituents on the negatively charged nitrogen are triflyl groups. ChEBI CHEBI:61320

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

Density:
Boiling Point: 190.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.7±3.0 kJ/mol
Flash Point: 69.0±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.52
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.52
Polar Surface Area: 85 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  286.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00091  (Modified Grain method)
    Subcooled liquid VP: 0.00389 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  271.2
       log Kow used: 2.07 (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 :   8.02E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.241E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.07  (KowWin est)
  Log Kaw used:  -2.484  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.554
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4271
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5520  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8933  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0200
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  0.519 Pa (0.00389 mm Hg)
  Log Koa (Koawin est  ): 4.554
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.78E-006 
       Octanol/air (Koa) model:  8.79E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000209 
       Mackay model           :  0.000463 
       Octanol/air (Koa) model:  7.03E-007 

 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): 0.000336 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  133
      Log Koc:  2.124 

 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 = 0.891 (BCF = 7.785)
       log Kow used: 2.07 (estimated)

 Volatilization from Water:
    Henry LC:  8.02E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      13.95  hours
    Half-Life from Model Lake :      292.8  hours   (12.2 days)

 Removal In Wastewater Treatment:
    Total removal:               6.24  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.15  percent
    Total to Air:                4.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.46            1e+005       1000       
   Water     26.8            4.32e+003    1000       
   Soil      66.7            8.64e+003    1000       
   Sediment  0.119           3.89e+004    0          
     Persistence Time: 990 hr

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