ChemSpider 2D Image | N'-[(E)-(4-Butoxyphenyl)methylene]-4-(2,4-dichlorophenoxy)butanehydrazide | C21H24Cl2N2O3

N'-[(E)-(4-Butoxyphenyl)methylene]-4-(2,4-dichlorophenoxy)butanehydrazide

  • Molecular FormulaC21H24Cl2N2O3
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5266434

  • Double-bond stereo - Double-bond stereo

More details:

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

Butanoic acid, 4-(2,4-dichlorophenoxy)-, 2-[(1E)-(4-butoxyphenyl)methylene]hydrazide [ACD/Index Name]
N'-[(E)-(4-Butoxyphenyl)methylen]-4-(2,4-dichlorphenoxy)butanhydrazid [German] [ACD/IUPAC Name]
N'-[(E)-(4-Butoxyphenyl)methylene]-4-(2,4-dichlorophenoxy)butanehydrazide [ACD/IUPAC Name]
N'-[(E)-(4-Butoxyphényl)méthylène]-4-(2,4-dichlorophénoxy)butanehydrazide [French] [ACD/IUPAC Name]
362496-68-2 [RN]
N'-(4-butoxybenzylidene)-4-(2,4-dichlorophenoxy)butanohydrazide
N'-[(E)-(4-butoxyphenyl)methylidene]-4-(2,4-dichlorophenoxy)butanehydrazide
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
QHUYKCNDUBTBMC-BUVRLJJBSA-N

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

AK-968/11567564 [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) =  5.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  549.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  235.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.95E-012  (Modified Grain method)
    Subcooled liquid VP: 1.49E-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):  0.01825
       log Kow used: 5.95 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.011657 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.40E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.426E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.95  (KowWin est)
  Log Kaw used:  -10.242  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.192
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5534
   Biowin2 (Non-Linear Model)     :   0.3333
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0325  (months      )
   Biowin4 (Primary Survey Model) :   3.3296  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2002
   Biowin6 (MITI Non-Linear Model):   0.0221
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4887
 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):  1.99E-007 Pa (1.49E-009 mm Hg)
  Log Koa (Koawin est  ): 16.192
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  15.1 
       Octanol/air (Koa) model:  3.82E+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 =  68.1138 E-12 cm3/molecule-sec
      Half-Life =     0.157 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.884 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  5.579E+005
      Log Koc:  5.747 

 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 = 3.880 (BCF = 7582)
       log Kow used: 5.95 (estimated)

 Volatilization from Water:
    Henry LC:  1.4E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.605E+008  hours   (3.585E+007 days)
    Half-Life from Model Lake : 9.387E+009  hours   (3.911E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              91.93  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.16  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       0.00318         3.77         1000       
   Water     2.57            1.44e+003    1000       
   Soil      50.2            2.88e+003    1000       
   Sediment  47.2            1.3e+004     0          
     Persistence Time: 5.01e+003 hr

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