ChemSpider 2D Image | Indeno[1,2-b]quinolin-11-ylidene-phenyl-amine | C22H14N2

Indeno[1,2-b]quinolin-11-ylidene-phenyl-amine

  • Molecular FormulaC22H14N2
  • Average mass306.360 Da
  • Monoisotopic mass306.115692 Da
  • ChemSpider ID18299219

  • Double-bond stereo - Double-bond stereo

More details:

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

(11Z)-N-Phenyl-11H-indeno[1,2-b]chinolin-11-imin [German] [ACD/IUPAC Name]
(11Z)-N-Phényl-11H-indéno[1,2-b]quinoléin-11-imine [French] [ACD/IUPAC Name]
(11Z)-N-Phenyl-11H-indeno[1,2-b]quinolin-11-imine [ACD/IUPAC Name]
Benzenamine, N-(11H-indeno[1,2-b]quinolin-11-ylidene)-
Benzenamine, N-[(11Z)-11H-indeno[1,2-b]quinolin-11-ylidene]- [ACD/Index Name]
Indeno[1,2-b]quinolin-11-ylidene-phenyl-amine
N-[(11Z)-11H-indeno[1,2-b]quinolin-11-ylidene]aniline
(Z)-N-(11H-indeno[1,2-b]quinolin-11-ylidene)aniline
85635-74-1 [RN]
indeno[3,2-b]quinolin-10-ylidenephenylazamethane
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 504.9±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.5±3.0 kJ/mol
    Flash Point: 259.1±25.1 °C
    Index of Refraction: 1.694
    Molar Refractivity: 97.3±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.22
    ACD/LogD (pH 5.5): 5.50
    ACD/BCF (pH 5.5): 8957.48
    ACD/KOC (pH 5.5): 23471.05
    ACD/LogD (pH 7.4): 5.50
    ACD/BCF (pH 7.4): 8959.79
    ACD/KOC (pH 7.4): 23477.11
    Polar Surface Area: 25 Å2
    Polarizability: 38.6±0.5 10-24cm3
    Surface Tension: 48.6±7.0 dyne/cm
    Molar Volume: 253.5±7.0 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) =  6.48

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  442.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  175.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.12E-008  (Modified Grain method)
    Subcooled liquid VP: 7.68E-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):  0.0327
       log Kow used: 6.48 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0022265 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines
       Schiff Bases

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.48E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.613E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.48  (KowWin est)
  Log Kaw used:  -3.994  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.474
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7298
   Biowin2 (Non-Linear Model)     :   0.6124
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5441  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4106  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0882
   Biowin6 (MITI Non-Linear Model):   0.0063
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2457
 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):  0.000102 Pa (7.68E-007 mm Hg)
  Log Koa (Koawin est  ): 10.474
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0293 
       Octanol/air (Koa) model:  0.00731 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.514 
       Mackay model           :  0.701 
       Octanol/air (Koa) model:  0.369 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 243.5326 E-12 cm3/molecule-sec
      Half-Life =     0.044 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.527 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     3.085000 E-17 cm3/molecule-sec
      Half-Life =     0.371 Days (at 7E11 mol/cm3)
      Half-Life =      8.915 Hrs
   Fraction sorbed to airborne particulates (phi): 0.608 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.943E+006
      Log Koc:  6.596 

 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 = 4.293 (BCF = 1.962e+004)
       log Kow used: 6.48 (estimated)

 Volatilization from Water:
    Henry LC:  2.48E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        415  hours   (17.29 days)
    Half-Life from Model Lake :       4674  hours   (194.8 days)

 Removal In Wastewater Treatment:
    Total removal:              93.41  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.63  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       0.0154          0.943        1000       
   Water     2.69            900          1000       
   Soil      31.1            1.8e+003     1000       
   Sediment  66.2            8.1e+003     0          
     Persistence Time: 2.84e+003 hr

    Click to predict properties on the Chemicalize site


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