ChemSpider 2D Image | 9-Fluorobenzo[k]fluoranthene | C20H11F

9-Fluorobenzo[k]fluoranthene

  • Molecular FormulaC20H11F
  • Average mass270.300 Da
  • Monoisotopic mass270.084473 Da
  • ChemSpider ID119642

More details:

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

113600-15-0 [RN]
9-Fluorbenzo[k]fluoranthen [German] [ACD/IUPAC Name]
9-Fluorobenzo[k]fluoranthene [ACD/IUPAC Name]
9-Fluorobenzo[k]fluoranthène [French] [ACD/IUPAC Name]
Benzo[k]fluoranthene, 9-fluoro- [ACD/Index Name]
9-Fluorobenzo(k)fluoranthene
9-FLUOROBENZO[K]FLUORANTHENE|9-FLUOROBENZO[K]FLUORANTHENE
Benzo(k)fluoranthene, 9-fluoro-

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

CCRIS 1508 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 470.4±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 203.5±7.3 °C
Index of Refraction: 1.861
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29142.01
ACD/KOC (pH 5.5): 54611.99
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29142.01
ACD/KOC (pH 7.4): 54611.99
Polar Surface Area: 0 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 200.3±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) =  6.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  394.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  144.48  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.05E-007  (Modified Grain method)
    Subcooled liquid VP: 1.15E-005 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):  0.009946
       log Kow used: 6.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0063702 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.68E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.521E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.03  (KowWin est)
  Log Kaw used:  -2.564  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.594
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6189
   Biowin2 (Non-Linear Model)     :   0.3037
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6018  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4577  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0056
   Biowin6 (MITI Non-Linear Model):   0.0002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1041
 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):  0.00153 Pa (1.15E-005 mm Hg)
  Log Koa (Koawin est  ): 8.594
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00196 
       Octanol/air (Koa) model:  9.64E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.066 
       Mackay model           :  0.135 
       Octanol/air (Koa) model:  0.00765 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 225.4538 E-12 cm3/molecule-sec
      Half-Life =     0.047 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.569 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    26.334000 E-17 cm3/molecule-sec
      Half-Life =     0.044 Days (at 7E11 mol/cm3)
      Half-Life =      1.044 Hrs
   Fraction sorbed to airborne particulates (phi): 0.101 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.274E+006
      Log Koc:  6.105 

 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 = 3.946 (BCF = 8822)
       log Kow used: 6.03 (estimated)

 Volatilization from Water:
    Henry LC:  6.68E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      16.09  hours
    Half-Life from Model Lake :      313.4  hours   (13.06 days)

 Removal In Wastewater Treatment:
    Total removal:              92.29  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.45  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.012           0.545        1000       
   Water     3.86            900          1000       
   Soil      37.1            1.8e+003     1000       
   Sediment  59.1            8.1e+003     0          
     Persistence Time: 2.34e+003 hr

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