ChemSpider 2D Image | 4-Methoxy-N'-[(E)-(2-methoxy-1-naphthyl)methylene]benzohydrazide | C20H18N2O3

4-Methoxy-N'-[(E)-(2-methoxy-1-naphthyl)methylene]benzohydrazide

  • Molecular FormulaC20H18N2O3
  • Average mass334.368 Da
  • Monoisotopic mass334.131744 Da
  • ChemSpider ID7839005
  • Double-bond stereo - Double-bond stereo


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

4-Methoxy-N'-[(E)-(2-methoxy-1-naphthyl)methylen]benzohydrazid [German] [ACD/IUPAC Name]
4-Methoxy-N'-[(E)-(2-methoxy-1-naphthyl)methylene]benzohydrazide [ACD/IUPAC Name]
4-Méthoxy-N'-[(E)-(2-méthoxy-1-naphtyl)méthylène]benzohydrazide [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-, 2-[(1E)-(2-methoxy-1-naphthalenyl)methylene]hydrazide [ACD/Index Name]
4-methoxy-N'-[(1E)-(2-methoxy-1-naphthyl)methylene]benzohydrazide
4-methoxy-N'-[(1E)-(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide
4-methoxy-N'-[(E)-(2-methoxy-1-naphthyl)methylidene]benzohydrazide
4-methoxy-N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide
4-methoxy-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
4-METHOXY-N`-[(1E)-(2-METHOXYNAPHTHALEN-1-YL)METHYLIDENE]BENZOHYDRAZIDE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-205/32982006 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.587
    Molar Refractivity: 96.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): 3.76
    ACD/BCF (pH 5.5): 425.07
    ACD/KOC (pH 5.5): 2648.85
    ACD/LogD (pH 7.4): 3.76
    ACD/BCF (pH 7.4): 425.05
    ACD/KOC (pH 7.4): 2648.74
    Polar Surface Area: 60 Å2
    Polarizability: 38.2±0.5 10-24cm3
    Surface Tension: 42.1±7.0 dyne/cm
    Molar Volume: 286.9±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) =  4.12
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  525.09  (Adapted Stein & Brown method)
        Melting Pt (deg C):  224.32  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  4.64E-011  (Modified Grain method)
        Subcooled liquid VP: 6.33E-009 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):  2.335
           log Kow used: 4.12 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  0.55087 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Hydrazines
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.63E-013  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  8.743E-012 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  4.12  (KowWin est)
      Log Kaw used:  -11.176  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  15.296
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.8522
       Biowin2 (Non-Linear Model)     :   0.9403
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.3440  (weeks-months)
       Biowin4 (Primary Survey Model) :   3.5196  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.1811
       Biowin6 (MITI Non-Linear Model):   0.0484
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.1118
     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):  8.44E-007 Pa (6.33E-009 mm Hg)
      Log Koa (Koawin est  ): 15.296
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  3.55 
           Octanol/air (Koa) model:  485 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.992 
           Mackay model           :  0.996 
           Octanol/air (Koa) model:  1 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 141.4280 E-12 cm3/molecule-sec
          Half-Life =     0.076 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     0.908 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  4.333E+004
          Log Koc:  4.637 
    
     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 = 2.472 (BCF = 296.2)
           log Kow used: 4.12 (estimated)
    
     Volatilization from Water:
        Henry LC:  1.63E-013 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 6.568E+009  hours   (2.737E+008 days)
        Half-Life from Model Lake : 7.165E+010  hours   (2.986E+009 days)
    
     Removal In Wastewater Treatment:
        Total removal:              35.83  percent
        Total biodegradation:        0.37  percent
        Total sludge adsorption:    35.46  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       0.000242        1.82         1000       
       Water     10.8            900          1000       
       Soil      85.8            1.8e+003     1000       
       Sediment  3.37            8.1e+003     0          
         Persistence Time: 1.9e+003 hr
    
    
    
    
                        

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