ChemSpider 2D Image | 9,9-Dimethyl-N-phenyl-9H-fluoren-2-amine | C21H19N

9,9-Dimethyl-N-phenyl-9H-fluoren-2-amine

  • Molecular FormulaC21H19N
  • Average mass285.382 Da
  • Monoisotopic mass285.151764 Da
  • ChemSpider ID18983672

More details:

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

355832-04-1 [RN]
9,9-Dimethyl-N-phenyl-9H-fluoren-2-amin [German] [ACD/IUPAC Name]
9,9-Dimethyl-N-phenyl-9H-fluoren-2-amine [ACD/IUPAC Name]
9,9-Diméthyl-N-phényl-9H-fluorén-2-amine [French] [ACD/IUPAC Name]
9H-Fluoren-2-amine, 9,9-dimethyl-N-phenyl- [ACD/Index Name]
[355832-04-1] [RN]
2-anilino-9,9-dimethylfluorene
9,9-Dimethyl-2-(phenylamino)fluorene
9,9-dimethyl-N-phenylfluoren-2-amine
DS-4269
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 448.7±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.7±3.0 kJ/mol
    Flash Point: 241.4±18.3 °C
    Index of Refraction: 1.653
    Molar Refractivity: 92.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.95
    ACD/LogD (pH 5.5): 5.44
    ACD/BCF (pH 5.5): 8057.18
    ACD/KOC (pH 5.5): 21758.69
    ACD/LogD (pH 7.4): 5.44
    ACD/BCF (pH 7.4): 8057.40
    ACD/KOC (pH 7.4): 21759.31
    Polar Surface Area: 12 Å2
    Polarizability: 36.7±0.5 10-24cm3
    Surface Tension: 47.4±3.0 dyne/cm
    Molar Volume: 252.8±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) =  5.90

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  419.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  159.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.2E-007  (Modified Grain method)
    Subcooled liquid VP: 2.84E-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):  0.01056
       log Kow used: 5.90 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.008194 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.75E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.267E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.90  (KowWin est)
  Log Kaw used:  -5.629  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.529
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3221
   Biowin2 (Non-Linear Model)     :   0.0534
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2434  (months      )
   Biowin4 (Primary Survey Model) :   3.1791  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1275
   Biowin6 (MITI Non-Linear Model):   0.0063
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8621
 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):  0.000379 Pa (2.84E-006 mm Hg)
  Log Koa (Koawin est  ): 11.529
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00792 
       Octanol/air (Koa) model:  0.083 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.222 
       Mackay model           :  0.388 
       Octanol/air (Koa) model:  0.869 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.3346 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.641 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.305 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.269E+005
      Log Koc:  5.514 

 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 = 3.844 (BCF = 6987)
       log Kow used: 5.90 (estimated)

 Volatilization from Water:
    Henry LC:  5.75E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.72E+004  hours   (716.8 days)
    Half-Life from Model Lake : 1.878E+005  hours   (7826 days)

 Removal In Wastewater Treatment:
    Total removal:              91.68  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    90.91  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          1.28         1000       
   Water     3.33            1.44e+003    1000       
   Soil      39.8            2.88e+003    1000       
   Sediment  56.8            1.3e+004     0          
     Persistence Time: 3.69e+003 hr

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