ChemSpider 2D Image | 2,2'-Oxybis(tetrafluoropropanoyl fluoride) | C6F10O3

2,2'-Oxybis(tetrafluoropropanoyl fluoride)

  • Molecular FormulaC6F10O3
  • Average mass310.046 Da
  • Monoisotopic mass309.968781 Da
  • ChemSpider ID8076909

More details:

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

2,2'-Oxybis(tetrafluoropropanoyl fluoride) [ACD/IUPAC Name]
2,2'-Oxybis(tetrafluorpropanoylfluorid) [German] [ACD/IUPAC Name]
Fluorure de 2,2'-oxybis(tétrafluoropropanoyle) [French] [ACD/IUPAC Name]
Propanoyl fluoride, 2,2'-oxybis[2,3,3,3-tetrafluoro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 167.4±40.0 °C at 760 mmHg
Vapour Pressure: 1.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.4±3.0 kJ/mol
Flash Point: 54.1±22.2 °C
Index of Refraction: 1.290
Molar Refractivity: 33.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 10.46
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 88417.55
ACD/KOC (pH 5.5): 120868.08
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 88417.55
ACD/KOC (pH 7.4): 120868.08
Polar Surface Area: 43 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 17.9±3.0 dyne/cm
Molar Volume: 182.8±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) =  -0.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  151.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -1.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.82  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.884e+004
       log Kow used: -0.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2198 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acid Chloride/Halide

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.34E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.044E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.29  (KowWin est)
  Log Kaw used:  -0.467  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.177
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.1561
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.0552  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.5350  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1002
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0896
 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):  591 Pa (4.43 mm Hg)
  Log Koa (Koawin est  ): 0.177
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.08E-009 
       Octanol/air (Koa) model:  3.69E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.83E-007 
       Mackay model           :  4.06E-007 
       Octanol/air (Koa) model:  2.95E-011 

 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): 2.95E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  18.31
      Log Koc:  1.263 

 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: -0.29 (estimated)

 Volatilization from Water:
    Henry LC:  0.00834 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.92  hours
    Half-Life from Model Lake :      168.6  hours   (7.025 days)

 Removal In Wastewater Treatment:
    Total removal:              76.69  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     0.61  percent
    Total to Air:               76.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       47.7            1e+005       1000       
   Water     50.3            4.32e+003    1000       
   Soil      1.95            8.64e+003    1000       
   Sediment  0.0996          3.89e+004    0          
     Persistence Time: 187 hr

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