ChemSpider 2D Image | 4-[(2-Naphthyloxy)methyl]-N'-[(E)-(4-nitrophenyl)methylene]benzohydrazide | C25H19N3O4

4-[(2-Naphthyloxy)methyl]-N'-[(E)-(4-nitrophenyl)methylene]benzohydrazide

  • Molecular FormulaC25H19N3O4
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5267670

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(2-Naphthyloxy)methyl]-N'-[(E)-(4-nitrophenyl)methylen]benzohydrazid [German] [ACD/IUPAC Name]
4-[(2-Naphthyloxy)methyl]-N'-[(E)-(4-nitrophenyl)methylene]benzohydrazide [ACD/IUPAC Name]
4-[(2-Naphtyloxy)méthyl]-N'-[(E)-(4-nitrophényl)méthylène]benzohydrazide [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2-naphthalenyloxy)methyl]-, 2-[(1E)-(4-nitrophenyl)methylene]hydrazide [ACD/Index Name]
4-(Naphthalen-2-yloxymethyl)-benzoic acid (4-nitro-benzylidene)-hydrazide
4-(naphthalen-2-yloxymethyl)-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
4-[(naphthalen-2-yloxy)methyl]-N'-[(E)-(4-nitrophenyl)methylidene]benzohydrazide
4-[(NAPHTHALEN-2-YLOXY)METHYL]-N`-[(1E)-(4-NITROPHENYL)METHYLIDENE]BENZOHYDRAZIDE
445243-96-9 [RN]
N'-{4-nitrobenzylidene}-4-[(2-naphthyloxy)methyl]benzohydrazide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/41025678 [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) =  5.56

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  641.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  278.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.64E-015  (Modified Grain method)
    Subcooled liquid VP: 6.09E-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):  0.01536
       log Kow used: 5.56 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0022 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.80E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.513E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.56  (KowWin est)
  Log Kaw used:  -13.444  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.004
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3719
   Biowin2 (Non-Linear Model)     :   0.0358
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0313  (months      )
   Biowin4 (Primary Survey Model) :   3.2027  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4881
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6057
 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):  8.12E-010 Pa (6.09E-012 mm Hg)
  Log Koa (Koawin est  ): 19.004
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.69E+003 
       Octanol/air (Koa) model:  2.48E+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 = 218.1323 E-12 cm3/molecule-sec
      Half-Life =     0.049 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.588 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  2.71E+006
      Log Koc:  6.433 

 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 = 3.584 (BCF = 3837)
       log Kow used: 5.56 (estimated)

 Volatilization from Water:
    Henry LC:  8.8E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.372E+012  hours   (5.718E+010 days)
    Half-Life from Model Lake : 1.497E+013  hours   (6.238E+011 days)

 Removal In Wastewater Treatment:
    Total removal:              88.99  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    88.24  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       0.000755        1.18         1000       
   Water     3.86            1.44e+003    1000       
   Soil      59.1            2.88e+003    1000       
   Sediment  37              1.3e+004     0          
     Persistence Time: 4.33e+003 hr

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