ChemSpider 2D Image | N'-[(1Z,2E)-1,3-Diphenyl-2-propen-1-ylidene]-4-(2-methyl-2-propanyl)benzohydrazide | C26H26N2O

N'-[(1Z,2E)-1,3-Diphenyl-2-propen-1-ylidene]-4-(2-methyl-2-propanyl)benzohydrazide

  • Molecular FormulaC26H26N2O
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5261477

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzoic acid, 4-(1,1-dimethylethyl)-, 2-[(1Z,2E)-1,3-diphenyl-2-propen-1-ylidene]hydrazide [ACD/Index Name]
N'-[(1Z,2E)-1,3-Diphenyl-2-propen-1-yliden]-4-(2-methyl-2-propanyl)benzohydrazid [German] [ACD/IUPAC Name]
N'-[(1Z,2E)-1,3-Diphenyl-2-propen-1-ylidene]-4-(2-methyl-2-propanyl)benzohydrazide [ACD/IUPAC Name]
N'-[(1Z,2E)-1,3-Diphényl-2-propén-1-ylidène]-4-(2-méthyl-2-propanyl)benzohydrazide [French] [ACD/IUPAC Name]
4-(tert-butyl)-N'-[(Z,2E)-1,3-diphenyl-2-propenylidene]benzohydrazide
4-tert-Butyl-benzoic acid (1,3-diphenyl-allylidene)-hydrazide
4-tert-butyl-N'-(1,3-diphenyl-2-propen-1-ylidene)benzohydrazide
4-tert-butyl-N'-(1,3-diphenyl-2-propenylidene)benzohydrazide
4-tert-butyl-N'-[(1Z,2E)-1,3-diphenylprop-2-en-1-ylidene]benzohydrazide
4-tert-butyl-N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]benzamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-329/41583724 [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) =  7.83

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  549.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  235.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.03E-012  (Modified Grain method)
    Subcooled liquid VP: 1.5E-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):  0.0008031
       log Kow used: 7.83 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00097504 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.26E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.032E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.83  (KowWin est)
  Log Kaw used:  -8.528  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.358
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6377
   Biowin2 (Non-Linear Model)     :   0.3663
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1858  (months      )
   Biowin4 (Primary Survey Model) :   3.1522  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2295
   Biowin6 (MITI Non-Linear Model):   0.0018
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7836
 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):  2E-007 Pa (1.5E-009 mm Hg)
  Log Koa (Koawin est  ): 16.358
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  15 
       Octanol/air (Koa) model:  5.6E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.998 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  72.4467 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  80.0467 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.772 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.603 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.050000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.091 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.778E+006
      Log Koc:  6.831 

 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 = 3.669 (BCF = 4667)
       log Kow used: 7.83 (estimated)

 Volatilization from Water:
    Henry LC:  7.26E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.577E+007  hours   (6.572E+005 days)
    Half-Life from Model Lake : 1.721E+008  hours   (7.169E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              94.01  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.23  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       0.0223          3.12         1000       
   Water     1.35            1.44e+003    1000       
   Soil      33.2            2.88e+003    1000       
   Sediment  65.4            1.3e+004     0          
     Persistence Time: 5.01e+003 hr

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