ChemSpider 2D Image | N'-[(E)-(2-Chlorophenyl)methylene]-2-(2-naphthyloxy)acetohydrazide | C19H15ClN2O2

N'-[(E)-(2-Chlorophenyl)methylene]-2-(2-naphthyloxy)acetohydrazide

  • Molecular FormulaC19H15ClN2O2
  • Average mass338.788 Da
  • Monoisotopic mass338.082214 Da
  • ChemSpider ID7871588

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-(2-naphthalenyloxy)-, 2-[(1E)-(2-chlorophenyl)methylene]hydrazide [ACD/Index Name]
N'-[(E)-(2-Chlorophenyl)methylene]-2-(2-naphthyloxy)acetohydrazide [ACD/IUPAC Name]
N'-[(E)-(2-Chlorophényl)méthylène]-2-(2-naphtyloxy)acétohydrazide [French] [ACD/IUPAC Name]
N'-[(E)-(2-Chlorphenyl)methylen]-2-(2-naphthyloxy)acetohydrazid [German] [ACD/IUPAC Name]
329917-94-4 [RN]
N'-[(1E)-(2-chlorophenyl)methylidene]-2-(naphthalen-2-yloxy)acetohydrazide
N-[(1E)-2-(2-chlorophenyl)-1-azavinyl]-2-(2-naphthyloxy)acetamide
N'-[(E)-(2-chlorophenyl)methylidene]-2-(naphthalen-2-yloxy)acetohydrazide
N-[(E)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
N`-[(1E)-(2-CHLOROPHENYL)METHYLIDENE]-2-(NAPHTHALEN-2-YLOXY)ACETOHYDRAZIDE

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

A0669/0031139 [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: 1.609
    Molar Refractivity: 95.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.52
    ACD/LogD (pH 5.5): 5.19
    ACD/BCF (pH 5.5): 5220.69
    ACD/KOC (pH 5.5): 15949.32
    ACD/LogD (pH 7.4): 5.19
    ACD/BCF (pH 7.4): 5220.43
    ACD/KOC (pH 7.4): 15948.53
    Polar Surface Area: 51 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 45.9±7.0 dyne/cm
    Molar Volume: 275.4±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) =  4.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  520.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  222.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.61E-011  (Modified Grain method)
    Subcooled liquid VP: 8.46E-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):  1.191
       log Kow used: 4.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.83675 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.35E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.474E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.43  (KowWin est)
  Log Kaw used:  -9.660  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.090
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5357
   Biowin2 (Non-Linear Model)     :   0.1723
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1858  (months      )
   Biowin4 (Primary Survey Model) :   3.2707  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0357
   Biowin6 (MITI Non-Linear Model):   0.0157
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3788
 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):  1.13E-006 Pa (8.46E-009 mm Hg)
  Log Koa (Koawin est  ): 14.090
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.66 
       Octanol/air (Koa) model:  30.2 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.99 
       Mackay model           :  0.995 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 213.3636 E-12 cm3/molecule-sec
      Half-Life =     0.050 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.602 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.518E+005
      Log Koc:  5.401 

 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 = 2.711 (BCF = 514.4)
       log Kow used: 4.43 (estimated)

 Volatilization from Water:
    Henry LC:  5.35E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.014E+008  hours   (8.393E+006 days)
    Half-Life from Model Lake : 2.197E+009  hours   (9.156E+007 days)

 Removal In Wastewater Treatment:
    Total removal:              52.30  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    51.80  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       0.00327         1.2          1000       
   Water     8.27            1.44e+003    1000       
   Soil      84.8            2.88e+003    1000       
   Sediment  6.94            1.3e+004     0          
     Persistence Time: 2.85e+003 hr

    Click to predict properties on the Chemicalize site


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