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ChemSpider 2D Image | Decafluorobiphenyl | C12F10

Decafluorobiphenyl

  • Molecular FormulaC12F10
  • Average mass334.112 Da
  • Monoisotopic mass333.984039 Da
  • ChemSpider ID61266

More details:






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

1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro- [ACD/Index Name]
207-107-3 [EINECS]
434-90-2 [RN]
BIPHENYL, DECAFLUORO-
Decafluorbiphenyl [German] [ACD/IUPAC Name]
Decafluorobiphenyl [ACD/IUPAC Name]
Décafluorobiphényle [French] [ACD/IUPAC Name]
"DECAFLUORO-1,1`-BIPHENYL"
[434-90-2]
1,1'-Biphenyl, 2,2',3,3',4, 4',5,5',6,6'-decafluoro-
More...

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

MFCD00000292 [DBID]
442538_SUPELCO [DBID]
77244_FLUKA [DBID]
D227_ALDRICH [DBID]
NSC97070 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 206.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.4±3.0 kJ/mol
Flash Point: 68.5±17.7 °C
Index of Refraction: 1.429
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1392.98
ACD/KOC (pH 5.5): 6194.90
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1392.98
ACD/KOC (pH 7.4): 6194.90
Polar Surface Area: 0 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 27.8±3.0 dyne/cm
Molar Volume: 196.8±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) =  5.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  232.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  50.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0979  (Modified Grain method)
    MP  (exp database):  67.5 deg C
    BP  (exp database):  206 deg C
    Subcooled liquid VP: 0.245 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):  0.09282
       log Kow used: 5.76 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.2753 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.94E-003  atm-m3/mole
   Group Method:   1.34E+001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.637E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.76  (KowWin est)
  Log Kaw used:  -1.101  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.861
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -7.5114
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):  -1.6086  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.5003  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1081
   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):  32.7 Pa (0.245 mm Hg)
  Log Koa (Koawin est  ): 6.861
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.18E-008 
       Octanol/air (Koa) model:  1.78E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.32E-006 
       Mackay model           :  7.35E-006 
       Octanol/air (Koa) model:  0.000143 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1371 E-12 cm3/molecule-sec
      Half-Life =    77.999 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.33E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9.94E+005
      Log Koc:  5.997 

 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 = 4.356 (BCF = 2.27e+004)
       log Kow used: 5.76 (estimated)

 Volatilization from Water:
    Henry LC:  13.4 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.865  hours
    Half-Life from Model Lake :      173.6  hours   (7.234 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.98  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    57.46  percent
    Total to Air:               42.34  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.72            1.87e+003    1000       
   Water     4.11            4.32e+003    1000       
   Soil      1.64            8.64e+003    1000       
   Sediment  90.5            3.89e+004    0          
     Persistence Time: 2.13e+003 hr




                    

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