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


More details:






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]
c26h21n3o2
MFCD01043424
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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

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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