ChemSpider 2D Image | 4-{(E)-[(3-Hydroxy-2-naphthoyl)hydrazono]methyl}-2-methoxyphenyl acetate | C21H18N2O5

4-{(E)-[(3-Hydroxy-2-naphthoyl)hydrazono]methyl}-2-methoxyphenyl acetate

  • Molecular FormulaC21H18N2O5
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5267978
  • 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)-[4-(acetyloxy)-3-methoxyphenyl]methylene]hydrazide [ACD/Index Name]
4-{(E)-[(3-Hydroxy-2-naphthoyl)hydrazono]methyl}-2-methoxyphenyl acetate [ACD/IUPAC Name]
4-{(E)-[(3-Hydroxy-2-naphthoyl)hydrazono]methyl}-2-methoxyphenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{(E)-[(3-hydroxy-2-naphtoyl)hydrazono]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
[4-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
2-naphthalenecarboxylic acid, 3-hydroxy-, [(1E)-[4-(acetyloxy)-3-methoxyphenyl]methylene]hydrazide
2-naphthalenecarboxylic acid, 3-hydroxy-, [[4-(acetyloxy)-3-methoxyphenyl]methylene]hydrazide
304479-80-9 [RN]
4-[(1E)-{[(3-HYDROXYNAPHTHALEN-2-YL)FORMAMIDO]IMINO}METHYL]-2-METHOXYPHENYL ACETATE
4-[(E)-{2-[(3-hydroxynaphthalen-2-yl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl acetate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-329/11481814 [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) =  3.93
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  585.65  (Adapted Stein & Brown method)
        Melting Pt (deg C):  252.61  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  4.9E-014  (Modified Grain method)
        Subcooled liquid VP: 1.47E-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):  6.944
           log Kow used: 3.93 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  42.29 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Esters
           Hydrazines
           Phenols
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   4.35E-015  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  3.513E-015 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  3.93  (KowWin est)
      Log Kaw used:  -12.750  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  16.680
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.9893
       Biowin2 (Non-Linear Model)     :   0.9924
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.5015  (weeks-months)
       Biowin4 (Primary Survey Model) :   3.6476  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.2547
       Biowin6 (MITI Non-Linear Model):   0.0596
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.2817
     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):  1.96E-009 Pa (1.47E-011 mm Hg)
      Log Koa (Koawin est  ): 16.680
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  1.53E+003 
           Octanol/air (Koa) model:  1.17E+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 =  91.8536 E-12 cm3/molecule-sec
          Half-Life =     0.116 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     1.397 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    :  4.32E+004
          Log Koc:  4.635 
    
     Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
      Total Kb for pH > 8 at 25 deg C :  8.480E-001  L/mol-sec
      Kb Half-Life at pH 8:       9.460  days   
      Kb Half-Life at pH 7:      94.598  days   
    
     Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
       Log BCF from regression-based method = 2.327 (BCF = 212.5)
           log Kow used: 3.93 (estimated)
    
     Volatilization from Water:
        Henry LC:  4.35E-015 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 2.618E+011  hours   (1.091E+010 days)
        Half-Life from Model Lake : 2.856E+012  hours   (1.19E+011 days)
    
     Removal In Wastewater Treatment:
        Total removal:              26.97  percent
        Total biodegradation:        0.30  percent
        Total sludge adsorption:    26.68  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       0.00315         2.79         1000       
       Water     11.2            900          1000       
       Soil      86.6            1.8e+003     1000       
       Sediment  2.24            8.1e+003     0          
         Persistence Time: 1.85e+003 hr
    
    
    
    
                        

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