ChemSpider 2D Image | 3-Hydroxy-N'-[(E)-(4-methoxy-1-naphthyl)methylene]-2-naphthohydrazide | C23H18N2O3

3-Hydroxy-N'-[(E)-(4-methoxy-1-naphthyl)methylene]-2-naphthohydrazide

  • Molecular FormulaC23H18N2O3
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5263707

  • 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)-(4-methoxy-1-naphthalenyl)methylene]hydrazide [ACD/Index Name]
3-Hydroxy-N'-[(E)-(4-methoxy-1-naphthyl)methylen]-2-naphthohydrazid [German] [ACD/IUPAC Name]
3-Hydroxy-N'-[(E)-(4-methoxy-1-naphthyl)methylene]-2-naphthohydrazide [ACD/IUPAC Name]
3-Hydroxy-N'-[(E)-(4-méthoxy-1-naphtyl)méthylène]-2-naphtohydrazide [French] [ACD/IUPAC Name]
2-naphthalenecarboxylic acid, 3-hydroxy-, [(1E)-(4-methoxy-1-naphthalenyl)methylene]hydrazide
2-naphthalenecarboxylic acid, 3-hydroxy-, [(4-methoxy-1-naphthalenyl)methylene]hydrazide
3-hydroxy-N'-[(1E)-(4-methoxy-1-naphthyl)methylene]-2-naphthohydrazide
3-hydroxy-N'-[(E)-(4-methoxy-1-naphthyl)methylidene]-2-naphthohydrazide
3-hydroxy-N'-[(E)-(4-methoxynaphthalen-1-yl)methylidene]naphthalene-2-carbohydrazide
3-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-329/11482604 [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) =  5.51

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  607.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  262.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.07E-015  (Modified Grain method)
    Subcooled liquid VP: 3.63E-012 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):  0.02703
       log Kow used: 5.51 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.65307 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.53E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.635E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.51  (KowWin est)
  Log Kaw used:  -11.841  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.351
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8189
   Biowin2 (Non-Linear Model)     :   0.7121
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3789  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4301  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0411
   Biowin6 (MITI Non-Linear Model):   0.0096
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0968
 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):  4.84E-010 Pa (3.63E-012 mm Hg)
  Log Koa (Koawin est  ): 17.351
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.2E+003 
       Octanol/air (Koa) model:  5.51E+004 
   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 = 167.0642 E-12 cm3/molecule-sec
      Half-Life =     0.064 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.768 Hrs
   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    :  1.118E+006
      Log Koc:  6.048 

 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 = 3.543 (BCF = 3495)
       log Kow used: 5.51 (estimated)

 Volatilization from Water:
    Henry LC:  3.53E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.192E+010  hours   (1.33E+009 days)
    Half-Life from Model Lake : 3.482E+011  hours   (1.451E+010 days)

 Removal In Wastewater Treatment:
    Total removal:              88.41  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    87.66  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       0.0241          1.54         1000       
   Water     6.53            900          1000       
   Soil      50.9            1.8e+003     1000       
   Sediment  42.5            8.1e+003     0          
     Persistence Time: 2.14e+003 hr

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