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Search term: WCVWLLLVYFDRTB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(E)-(Diphenylhydrazono)methyl]-N,N-bis(4-methylphenyl)aniline | C33H29N3

4-[(E)-(Diphenylhydrazono)methyl]-N,N-bis(4-methylphenyl)aniline

  • Molecular FormulaC33H29N3
  • Average mass467.603 Da
  • Monoisotopic mass467.236145 Da
  • ChemSpider ID15006884

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-(Diphenylhydrazono)methyl]-N,N-bis(4-methylphenyl)anilin [German] [ACD/IUPAC Name]
4-[(E)-(Diphenylhydrazono)methyl]-N,N-bis(4-methylphenyl)aniline [ACD/IUPAC Name]
4-[(E)-(Diphénylhydrazono)méthyl]-N,N-bis(4-méthylphényl)aniline [French] [ACD/IUPAC Name]
83992-95-4 [RN]
906674-39-3 [RN]
Benzaldehyde, 4-[bis(4-methylphenyl)amino]-, 2,2-diphenylhydrazone [ACD/Index Name]
(E)-4-((2,2-Diphenylhydrazono)methyl)-N,N-di-p-tolylaniline
(E)-4-((2,2-Diphenylhydrazono)-methyl)-N,N-di-p-tolylaniline
(E)-4-[Bis(4-methylphenyl)amino]benzaldehyde 2,2-diphenylhydrazone
[83992-95-4] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

83992-95-4 , 906674-39-3 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 631.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.4±3.0 kJ/mol
    Flash Point: 335.6±34.3 °C
    Index of Refraction: 1.601
    Molar Refractivity: 152.5±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 9.72
    ACD/LogD (pH 5.5): 8.33
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 811749.31
    ACD/LogD (pH 7.4): 8.33
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 811818.81
    Polar Surface Area: 19 Å2
    Polarizability: 60.5±0.5 10-24cm3
    Surface Tension: 41.1±7.0 dyne/cm
    Molar Volume: 445.2±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) =  9.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  597.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  258.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.48E-013  (Modified Grain method)
    Subcooled liquid VP: 8.7E-011 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):  7.702e-006
       log Kow used: 9.57 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.7356e-006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.59E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.981E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.57  (KowWin est)
  Log Kaw used:  -6.975  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.545
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6852
   Biowin2 (Non-Linear Model)     :   0.2494
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8053  (months      )
   Biowin4 (Primary Survey Model) :   2.7578  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.5099
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.6123
 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):  1.16E-008 Pa (8.7E-011 mm Hg)
  Log Koa (Koawin est  ): 16.545
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  259 
       Octanol/air (Koa) model:  8.61E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 202.2120 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.635 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.744E+009
      Log Koc:  9.242 

 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 = 1.286 (BCF = 19.3)
       log Kow used: 9.57 (estimated)

 Volatilization from Water:
    Henry LC:  2.59E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.888E+005  hours   (2.037E+004 days)
    Half-Life from Model Lake : 5.333E+006  hours   (2.222E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.012           1.27         1000       
   Water     1.38            1.44e+003    1000       
   Soil      30.5            2.88e+003    1000       
   Sediment  68.1            1.3e+004     0          
     Persistence Time: 4.76e+003 hr

    Click to predict properties on the Chemicalize site


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