ChemSpider 2D Image | 2-[(2E)-2-(3,4-Dichlorobenzylidene)hydrazino]-N-(2,6-diethylphenyl)-2-oxoacetamide | C19H19Cl2N3O2

2-[(2E)-2-(3,4-Dichlorobenzylidene)hydrazino]-N-(2,6-diethylphenyl)-2-oxoacetamide

  • Molecular FormulaC19H19Cl2N3O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5269383

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(2E)-2-(3,4-Dichlorbenzyliden)hydrazino]-N-(2,6-diethylphenyl)-2-oxoacetamid [German] [ACD/IUPAC Name]
2-[(2E)-2-(3,4-Dichlorobenzylidene)hydrazino]-N-(2,6-diethylphenyl)-2-oxoacetamide [ACD/IUPAC Name]
2-[(2E)-2-(3,4-Dichlorobenzylidène)hydrazino]-N-(2,6-diéthylphényl)-2-oxoacétamide [French] [ACD/IUPAC Name]
Acetic acid, 2-[(2,6-diethylphenyl)amino]-2-oxo-, 2-[(1E)-(3,4-dichlorophenyl)methylene]hydrazide [ACD/Index Name]
2-[(2E)-2-(3,4-dichlorobenzylidene)hydrazinyl]-N-(2,6-diethylphenyl)-2-oxoacetamide
2-[N'-(3,4-Dichloro-benzylidene)-hydrazino]-N-(2,6-diethyl-phenyl)-2-oxo-acetamide
327999-12-2 [RN]
N-[(1E)-2-(3,4-dichlorophenyl)-1-azavinyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamide
N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide
NURBPWKVHOWODY-SSDVNMTOSA-N

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

A0775/0036241 [DBID]
AG-205/40121373 [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) =  5.22

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  598.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  258.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.26E-013  (Modified Grain method)
    Subcooled liquid VP: 8.06E-011 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):  0.1184
       log Kow used: 5.22 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9614 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.24E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.853E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.22  (KowWin est)
  Log Kaw used:  -10.038  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.258
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5154
   Biowin2 (Non-Linear Model)     :   0.0602
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7152  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0195  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3870
   Biowin6 (MITI Non-Linear Model):   0.0005
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4785
 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):  1.07E-008 Pa (8.06E-011 mm Hg)
  Log Koa (Koawin est  ): 15.258
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  279 
       Octanol/air (Koa) model:  445 
   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 =  73.9096 E-12 cm3/molecule-sec
      Half-Life =     0.145 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.737 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    :  1.173E+004
      Log Koc:  4.069 

 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 = 3.322 (BCF = 2097)
       log Kow used: 5.22 (estimated)

 Volatilization from Water:
    Henry LC:  2.24E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.177E+008  hours   (2.157E+007 days)
    Half-Life from Model Lake : 5.648E+009  hours   (2.353E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              83.55  percent
    Total biodegradation:        0.72  percent
    Total sludge adsorption:    82.84  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       0.0154          3.47         1000       
   Water     3.23            4.32e+003    1000       
   Soil      71.5            8.64e+003    1000       
   Sediment  25.3            3.89e+004    0          
     Persistence Time: 7.31e+003 hr

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