ChemSpider 2D Image | MFCD00010773 | C15H12FNO

MFCD00010773

  • Molecular FormulaC15H12FNO
  • Average mass241.260 Da
  • Monoisotopic mass241.090286 Da
  • ChemSpider ID9199

More details:

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

2-ACETAMIDO-7-FLUOROFLUORENE
Acetamide, N-(7-fluoro-9H-fluoren-2-yl)- [ACD/Index Name]
MFCD00010773
N-(7-Fluor-9H-fluoren-2-yl)acetamid [German] [ACD/IUPAC Name]
N-(7-Fluoro-9H-fluoren-2-yl)acetamide [ACD/IUPAC Name]
N-(7-Fluoro-9H-fluorén-2-yl)acétamide [French] [ACD/IUPAC Name]
343-89-5 [RN]
7-Fluoro-2-acetamidofluorene
7-Fluoro-2-acetamido-fluorene
7-Fluoro-2-acetylaminofluorene
More...

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

AI3-50464 [DBID]
BRN 2809479 [DBID]
NSC 46525 [DBID]
NSC46525 [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: 466.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.9±26.8 °C
Index of Refraction: 1.654
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.69
ACD/KOC (pH 5.5): 1361.17
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.69
ACD/KOC (pH 7.4): 1361.18
Polar Surface Area: 29 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 185.6±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) =  3.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  401.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  163.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.89E-007  (Modified Grain method)
    Subcooled liquid VP: 7.6E-006 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):  43.22
       log Kow used: 3.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.833 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.78E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.123E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.26  (KowWin est)
  Log Kaw used:  -6.944  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.204
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8975
   Biowin2 (Non-Linear Model)     :   0.9454
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5369  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6365  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1263
   Biowin6 (MITI Non-Linear Model):   0.0007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4400
 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):  0.00101 Pa (7.6E-006 mm Hg)
  Log Koa (Koawin est  ): 10.204
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00296 
       Octanol/air (Koa) model:  0.00393 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0966 
       Mackay model           :  0.191 
       Octanol/air (Koa) model:  0.239 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 138.0093 E-12 cm3/molecule-sec
      Half-Life =     0.078 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.930 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.974000 E-17 cm3/molecule-sec
      Half-Life =     0.082 Days (at 7E11 mol/cm3)
      Half-Life =      1.968 Hrs
   Fraction sorbed to airborne particulates (phi): 0.144 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2555
      Log Koc:  3.407 

 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 = 1.812 (BCF = 64.91)
       log Kow used: 3.26 (estimated)

 Volatilization from Water:
    Henry LC:  2.78E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.271E+005  hours   (1.363E+004 days)
    Half-Life from Model Lake : 3.569E+006  hours   (1.487E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               8.62  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.47  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       0.0153          0.956        1000       
   Water     14.4            900          1000       
   Soil      85              1.8e+003     1000       
   Sediment  0.593           8.1e+003     0          
     Persistence Time: 1.44e+003 hr

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