ChemSpider 2D Image | 2-(2-Chlorophenyl)-N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylene]-4-quinolinecarbohydrazide | C24H18ClN3O3

2-(2-Chlorophenyl)-N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylene]-4-quinolinecarbohydrazide

  • Molecular FormulaC24H18ClN3O3
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5266786

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(2-Chlorophényl)-N'-[(E)-(3-hydroxy-4-méthoxyphényl)méthylène]-4-quinoléinecarbohydrazide [French] [ACD/IUPAC Name]
2-(2-Chlorophenyl)-N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylene]-4-quinolinecarbohydrazide [ACD/IUPAC Name]
2-(2-Chlorphenyl)-N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylen]-4-chinolincarbohydrazid [German] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 2-(2-chlorophenyl)-, 2-[(1E)-(3-hydroxy-4-methoxyphenyl)methylene]hydrazide [ACD/Index Name]
2-(2-chlorophenyl)-N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]quinoline-4-carbohydrazide
2-(2-chlorophenyl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
2-(2-CHLOROPHENYL)-N`-[(1E)-(3-HYDROXY-4-METHOXYPHENYL)METHYLIDENE]QUINOLINE-4-CARBOHYDRAZIDE
2-(2-Chloro-phenyl)-quinoline-4-carboxylic acid (3-hydroxy-4-methoxy-benzylidene)-hydrazide
478820-91-6 [RN]
DWVIJNCBSGCROL-VULFUBBASA-N

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

AK-968/15605357 [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) =  4.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  658.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  286.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.54E-016  (Modified Grain method)
    Subcooled liquid VP: 1.23E-013 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):  0.1937
       log Kow used: 4.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.017768 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.14E-020  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.518E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.68  (KowWin est)
  Log Kaw used:  -18.058  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  22.738
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6072
   Biowin2 (Non-Linear Model)     :   0.1210
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0364  (months      )
   Biowin4 (Primary Survey Model) :   3.1761  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2178
   Biowin6 (MITI Non-Linear Model):   0.0013
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4991
 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):  1.64E-011 Pa (1.23E-013 mm Hg)
  Log Koa (Koawin est  ): 22.738
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.83E+005 
       Octanol/air (Koa) model:  1.34E+010 
   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 =  84.2473 E-12 cm3/molecule-sec
      Half-Life =     0.127 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.524 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   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    :  6.158E+006
      Log Koc:  6.789 

 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 = 2.907 (BCF = 806.6)
       log Kow used: 4.68 (estimated)

 Volatilization from Water:
    Henry LC:  2.14E-020 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.686E+016  hours   (2.369E+015 days)
    Half-Life from Model Lake : 6.203E+017  hours   (2.584E+016 days)

 Removal In Wastewater Treatment:
    Total removal:              65.05  percent
    Total biodegradation:        0.59  percent
    Total sludge adsorption:    64.46  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       1.38e-006       3.05         1000       
   Water     7.23            1.44e+003    1000       
   Soil      82              2.88e+003    1000       
   Sediment  10.8            1.3e+004     0          
     Persistence Time: 3.2e+003 hr

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