ChemSpider 2D Image | 2-(2-Nitrophenoxy)-N'-[(E)-2-pyridinylmethylene]acetohydrazide | C14H12N4O4

2-(2-Nitrophenoxy)-N'-[(E)-2-pyridinylmethylene]acetohydrazide

  • Molecular FormulaC14H12N4O4
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5275762

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(2-Nitrophenoxy)-N'-[(E)-2-pyridinylmethylen]acetohydrazid [German] [ACD/IUPAC Name]
2-(2-Nitrophenoxy)-N'-[(E)-2-pyridinylmethylene]acetohydrazide [ACD/IUPAC Name]
2-(2-Nitrophénoxy)-N'-[(E)-2-pyridinylméthylène]acétohydrazide [French] [ACD/IUPAC Name]
2-(2-Nitrophenoxy)-N'-[(E)-pyridin-2-ylmethylene]acetohydrazide
Acetic acid, 2-(2-nitrophenoxy)-, 2-[(1E)-2-pyridinylmethylene]hydrazide [ACD/Index Name]
(2-Nitro-phenoxy)-acetic acid pyridin-2-ylmethylene-hydrazide
2-(2-nitrophenoxy)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
2-(2-nitrophenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
2-(2-NITROPHENOXY)-N`-[(1E)-(PYRIDIN-2-YL)METHYLIDENE]ACETOHYDRAZIDE
2-(2-NITROPHENOXY)-N`-[(1E)-PYRIDIN-2-YLMETHYLIDENE]ACETOHYDRAZIDE
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    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) =  1.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  491.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  208.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.02E-010  (Modified Grain method)
    Subcooled liquid VP: 4.46E-008 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):  8698
       log Kow used: 1.24 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15118 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.82E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.280E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.24  (KowWin est)
  Log Kaw used:  -13.806  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.046
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2769
   Biowin2 (Non-Linear Model)     :   0.0409
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0937  (months      )
   Biowin4 (Primary Survey Model) :   3.3645  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1016
   Biowin6 (MITI Non-Linear Model):   0.0024
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7367
 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):  5.95E-006 Pa (4.46E-008 mm Hg)
  Log Koa (Koawin est  ): 15.046
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.504 
       Octanol/air (Koa) model:  273 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.948 
       Mackay model           :  0.976 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.2784 E-12 cm3/molecule-sec
      Half-Life =     0.700 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.401 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.962 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.614E+004
      Log Koc:  4.208 

 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 = 0.254 (BCF = 1.795)
       log Kow used: 1.24 (estimated)

 Volatilization from Water:
    Henry LC:  3.82E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.656E+012  hours   (1.107E+011 days)
    Half-Life from Model Lake : 2.897E+013  hours   (1.207E+012 days)

 Removal In Wastewater Treatment:
    Total removal:               1.92  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  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       1.08e-007       16.8         1000       
   Water     39.7            1.44e+003    1000       
   Soil      60.2            2.88e+003    1000       
   Sediment  0.0908          1.3e+004     0          
     Persistence Time: 1.36e+003 hr

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