ChemSpider 2D Image | 2-Phenyl-N'-[(E)-2-quinolinylmethylene]-4-quinolinecarbohydrazide | C26H18N4O

2-Phenyl-N'-[(E)-2-quinolinylmethylene]-4-quinolinecarbohydrazide

  • Molecular FormulaC26H18N4O
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5261073

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Phényl-N'-[(E)-2-quinoléinylméthylène]-4-quinoléinecarbohydrazide [French] [ACD/IUPAC Name]
2-Phenyl-N'-[(E)-2-quinolinylmethylene]-4-quinolinecarbohydrazide [ACD/IUPAC Name]
2-Phenyl-N'-[(E)-quinolin-2-ylmethylene]quinoline-4-carbohydrazide
4-Quinolinecarboxylic acid, 2-phenyl-, 2-[(1E)-2-quinolinylmethylene]hydrazide [ACD/Index Name]
N'-[(E)-2-Chinolinylmethylen]-2-phenyl-4-chinolincarbohydrazid [German] [ACD/IUPAC Name]
2-PHENYL-N-(QUINOLIN-2-YLMETHYLIDENEAMINO)QUINOLINE-4-CARBOXAMIDE
2-phenyl-N'-[(E)-quinolin-2-ylmethylidene]quinoline-4-carbohydrazide
2-phenyl-N-[(E)-quinolin-2-ylmethylideneamino]quinoline-4-carboxamide
2-Phenyl-quinoline-4-carboxylic acid quinolin-2-ylmethylene-hydrazide
304872-19-3 [RN]
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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) =  4.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  657.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  286.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.82E-015  (Modified Grain method)
    Subcooled liquid VP: 2.23E-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):  0.01674
       log Kow used: 4.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.079173 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.99E-019  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.921E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.84  (KowWin est)
  Log Kaw used:  -16.611  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.451
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6840
   Biowin2 (Non-Linear Model)     :   0.2876
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3318  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2720  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3634
   Biowin6 (MITI Non-Linear Model):   0.0010
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4395
 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):  2.97E-010 Pa (2.23E-012 mm Hg)
  Log Koa (Koawin est  ): 21.451
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.01E+004 
       Octanol/air (Koa) model:  6.93E+008 
   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 =  46.3584 E-12 cm3/molecule-sec
      Half-Life =     0.231 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.769 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    :  3.514E+007
      Log Koc:  7.546 

 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 = 3.030 (BCF = 1072)
       log Kow used: 4.84 (estimated)

 Volatilization from Water:
    Henry LC:  5.99E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.961E+015  hours   (8.17E+013 days)
    Half-Life from Model Lake : 2.139E+016  hours   (8.913E+014 days)

 Removal In Wastewater Treatment:
    Total removal:              72.00  percent
    Total biodegradation:        0.64  percent
    Total sludge adsorption:    71.36  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       3.18e-006       5.54         1000       
   Water     8.86            900          1000       
   Soil      76.9            1.8e+003     1000       
   Sediment  14.3            8.1e+003     0          
     Persistence Time: 2.14e+003 hr

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