Found 1 result

Search term: 1107-00-2 (Found by approved synonym)
ChemSpider 2D Image | 6FDA | C19H6F6O6

6FDA

  • Molecular FormulaC19H6F6O6
  • Average mass444.238 Da
  • Monoisotopic mass444.006866 Da
  • ChemSpider ID63843

More details:

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

1,3-Isobenzofurandione, 5,5'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-
1,3-Isobenzofurandione, 5,5'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- [ACD/Index Name]
1107-00-2 [RN]
214-170-0 [EINECS]
4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)diphthalic anhydride
4,4'-(Hexafluoroisopropylidene)bis(phthalic anhydride)
5,5'-(1,1,1,3,3,3-Hexafluor-2,2-propandiyl)bis(2-benzofuran-1,3-dion) [German] [ACD/IUPAC Name]
5,5'-(1,1,1,3,3,3-Hexafluoro-2,2-propanediyl)bis(2-benzofuran-1,3-dione) [ACD/IUPAC Name]
5,5'-(1,1,1,3,3,3-Hexafluoro-2,2-propanediyl)bis(2-benzofurane-1,3-dione) [French] [ACD/IUPAC Name]
5,5'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(2-benzofuran-1,3-dione)
More...

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

MFCD00039143 [DBID]
386448_ALDRICH [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 494.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 243.7±23.6 °C
Index of Refraction: 1.556
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 200.69
ACD/KOC (pH 5.5): 1547.95
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.69
ACD/KOC (pH 7.4): 1547.95
Polar Surface Area: 87 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 261.7±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) =  5.59

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  447.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  172.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.74E-008  (Modified Grain method)
    Subcooled liquid VP: 5.82E-007 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):  0.02746
       log Kow used: 5.59 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.65407 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.28E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.704E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.59  (KowWin est)
  Log Kaw used:  -5.526  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.116
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.6887
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9794  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.5046  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3883
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0707
 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):  7.76E-005 Pa (5.82E-007 mm Hg)
  Log Koa (Koawin est  ): 11.116
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0387 
       Octanol/air (Koa) model:  0.0321 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.583 
       Mackay model           :  0.756 
       Octanol/air (Koa) model:  0.719 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.3012 E-12 cm3/molecule-sec
      Half-Life =     3.240 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    38.881 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.669 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.597E+005
      Log Koc:  5.819 

 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 = 3.602 (BCF = 3995)
       log Kow used: 5.59 (estimated)

 Volatilization from Water:
    Henry LC:  7.28E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.695E+004  hours   (706.4 days)
    Half-Life from Model Lake : 1.851E+005  hours   (7713 days)

 Removal In Wastewater Treatment:
    Total removal:              89.31  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    88.56  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0656          77.8         1000       
   Water     2.01            4.32e+003    1000       
   Soil      65.1            8.64e+003    1000       
   Sediment  32.8            3.89e+004    0          
     Persistence Time: 9.96e+003 hr

Click to predict properties on the Chemicalize site


Advertisement