ChemSpider 2D Image | N'-[(E)-(9-Ethyl-9H-carbazol-3-yl)methylene]-3-hydroxy-2-naphthohydrazide | C26H21N3O2

N'-[(E)-(9-Ethyl-9H-carbazol-3-yl)methylene]-3-hydroxy-2-naphthohydrazide

  • Molecular FormulaC26H21N3O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5264678
  • Double-bond stereo - Double-bond stereo


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

2-Naphthalenecarboxylic acid, 3-hydroxy-, 2-[(1E)-(9-ethyl-9H-carbazol-3-yl)methylene]hydrazide [ACD/Index Name]
N'-[(E)-(9-Ethyl-9H-carbazol-3-yl)methylen]-3-hydroxy-2-naphthohydrazid [German] [ACD/IUPAC Name]
N'-[(E)-(9-Ethyl-9H-carbazol-3-yl)methylene]-3-hydroxy-2-naphthohydrazide [ACD/IUPAC Name]
N'-[(E)-(9-Éthyl-9H-carbazol-3-yl)méthylène]-3-hydroxy-2-naphtohydrazide [French] [ACD/IUPAC Name]
2-naphthalenecarboxylic acid, 3-hydroxy-, [(1E)-(9-ethyl-9H-carbazol-3-yl)methylene]hydrazide
2-naphthalenecarboxylic acid, 3-hydroxy-, [(9-ethyl-9H-carbazol-3-yl)methylene]hydrazide
3-Hydroxy-naphthalene-2-carboxylic acid (9-ethyl-9H-carbazol-3-ylmethylene)-hydrazide
91989-66-1 [RN]
MFCD01043424
N'-[(1E)-(9-ethyl-9H-carbazol-3-yl)methylene]-3-hydroxy-2-naphthohydrazide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-329/11481811 [DBID]

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

    No predicted properties have been calculated for this compound.

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                            
     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  6.59
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  650.82  (Adapted Stein & Brown method)
        Melting Pt (deg C):  283.05  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  2.87E-016  (Modified Grain method)
        Subcooled liquid VP: 2.06E-013 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):  0.001911
           log Kow used: 6.59 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  0.08798 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Hydrazines
           Phenols
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.13E-014  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  8.052E-014 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  6.59  (KowWin est)
      Log Kaw used:  -12.335  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  18.925
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.4641
       Biowin2 (Non-Linear Model)     :   0.0164
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.1003  (months      )
       Biowin4 (Primary Survey Model) :   3.0115  (weeks       )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :  -0.3738
       Biowin6 (MITI Non-Linear Model):   0.0007
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model): -1.4191
     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):  2.75E-011 Pa (2.06E-013 mm Hg)
      Log Koa (Koawin est  ): 18.925
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  1.09E+005 
           Octanol/air (Koa) model:  2.07E+006 
       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 = 262.3622 E-12 cm3/molecule-sec
          Half-Life =     0.041 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =    29.353 Min
       Ozone Reaction:
          No Ozone Reaction Estimation
       Reaction With Nitrate Radicals May Be Important!
       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    :  3.792E+006
          Log Koc:  6.579 
    
     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 = 4.375 (BCF = 2.37e+004)
           log Kow used: 6.59 (estimated)
    
     Volatilization from Water:
        Henry LC:  1.13E-014 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 1.046E+011  hours   (4.358E+009 days)
        Half-Life from Model Lake : 1.141E+012  hours   (4.754E+010 days)
    
     Removal In Wastewater Treatment:
        Total removal:              93.55  percent
        Total biodegradation:        0.78  percent
        Total sludge adsorption:    92.77  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       0.00964         0.978        1000       
       Water     1.83            1.44e+003    1000       
       Soil      32.9            2.88e+003    1000       
       Sediment  65.3            1.3e+004     0          
         Persistence Time: 4.48e+003 hr
    
    
    
    
                        

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