ChemSpider 2D Image | N'-[(E)-(3,4,5-Trimethoxyphenyl)methylene]-4-biphenylcarbohydrazide | C23H22N2O4

N'-[(E)-(3,4,5-Trimethoxyphenyl)methylene]-4-biphenylcarbohydrazide

  • Molecular FormulaC23H22N2O4
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5264923

  • Double-bond stereo - Double-bond stereo

More details:

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

[1,1'-Biphenyl]-4-carboxylic acid, 2-[(1E)-(3,4,5-trimethoxyphenyl)methylene]hydrazide [ACD/Index Name]
N'-[(E)-(3,4,5-Trimethoxyphenyl)methylen]-4-biphenylcarbohydrazid [German] [ACD/IUPAC Name]
N'-[(E)-(3,4,5-Trimethoxyphenyl)methylene]-4-biphenylcarbohydrazide [ACD/IUPAC Name]
N'-[(E)-(3,4,5-Triméthoxyphényl)méthylène]-4-biphénylcarbohydrazide [French] [ACD/IUPAC Name]
N'-[(E)-(3,4,5-Trimethoxyphenyl)methylene]biphenyl-4-carbohydrazide
[1,1'-biphenyl]-4-carboxylic acid, [(1E)-(3,4,5-trimethoxyphenyl)methylene]hydrazide
[1,1'-biphenyl]-4-carboxylic acid, [(3,4,5-trimethoxyphenyl)methylene]hydrazide
304480-45-3 [RN]
4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
Biphenyl-4-carboxylic acid (3,4,5-trimethoxy-benzylidene)-hydrazide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-329/11482535 [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) =  4.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  576.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  248.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.16E-012  (Modified Grain method)
    Subcooled liquid VP: 3.09E-010 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):  1.205
       log Kow used: 4.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.064454 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.60E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.946E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.06  (KowWin est)
  Log Kaw used:  -12.508  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.568
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0855
   Biowin2 (Non-Linear Model)     :   0.9975
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1840  (months      )
   Biowin4 (Primary Survey Model) :   3.5207  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2181
   Biowin6 (MITI Non-Linear Model):   0.0417
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3330
 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):  4.12E-008 Pa (3.09E-010 mm Hg)
  Log Koa (Koawin est  ): 16.568
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  72.8 
       Octanol/air (Koa) model:  9.08E+003 
   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 = 209.9288 E-12 cm3/molecule-sec
      Half-Life =     0.051 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.611 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    :  4.613E+005
      Log Koc:  5.664 

 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 = 2.423 (BCF = 265)
       log Kow used: 4.06 (estimated)

 Volatilization from Water:
    Henry LC:  7.6E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.522E+011  hours   (6.343E+009 days)
    Half-Life from Model Lake : 1.661E+012  hours   (6.919E+010 days)

 Removal In Wastewater Treatment:
    Total removal:              32.88  percent
    Total biodegradation:        0.34  percent
    Total sludge adsorption:    32.54  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       0.000169        1.22         1000       
   Water     8.44            1.44e+003    1000       
   Soil      88.6            2.88e+003    1000       
   Sediment  2.93            1.3e+004     0          
     Persistence Time: 2.93e+003 hr

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