ChemSpider 2D Image | N'-[(E)-(2-Chloro-6-fluorophenyl)methylene]-2-(2,6-dimethylphenoxy)acetohydrazide | C17H16ClFN2O2

N'-[(E)-(2-Chloro-6-fluorophenyl)methylene]-2-(2,6-dimethylphenoxy)acetohydrazide

  • Molecular FormulaC17H16ClFN2O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5274082

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-(2,6-dimethylphenoxy)-, 2-[(1E)-(2-chloro-6-fluorophenyl)methylene]hydrazide [ACD/Index Name]
N'-[(E)-(2-Chlor-6-fluorphenyl)methylen]-2-(2,6-dimethylphenoxy)acetohydrazid [German] [ACD/IUPAC Name]
N'-[(E)-(2-Chloro-6-fluorophenyl)methylene]-2-(2,6-dimethylphenoxy)acetohydrazide [ACD/IUPAC Name]
N'-[(E)-(2-Chloro-6-fluorophényl)méthylène]-2-(2,6-diméthylphénoxy)acétohydrazide [French] [ACD/IUPAC Name]
N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-(2,6-dimethylphenoxy)acetohydrazide
(2,6-Dimethyl-phenoxy)-acetic acid (2-chloro-6-fluoro-benzylidene)-hydrazide
462626-20-6 [RN]
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide

    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) =  4.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  469.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  198.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.35E-009  (Modified Grain method)
    Subcooled liquid VP: 1.58E-007 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):  0.9965
       log Kow used: 4.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.6066 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.79E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.039E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.55  (KowWin est)
  Log Kaw used:  -8.497  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.047
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1630
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6380  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.1529  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1068
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6452
 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):  2.11E-005 Pa (1.58E-007 mm Hg)
  Log Koa (Koawin est  ): 13.047
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.142 
       Octanol/air (Koa) model:  2.74 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.837 
       Mackay model           :  0.919 
       Octanol/air (Koa) model:  0.995 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  46.3673 E-12 cm3/molecule-sec
      Half-Life =     0.231 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.768 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.878 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.025E+005
      Log Koc:  5.011 

 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 = 2.803 (BCF = 635.3)
       log Kow used: 4.55 (estimated)

 Volatilization from Water:
    Henry LC:  7.79E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.375E+007  hours   (5.73E+005 days)
    Half-Life from Model Lake :   1.5E+008  hours   (6.251E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              58.63  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    58.09  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       0.001           5.54         1000       
   Water     3.56            4.32e+003    1000       
   Soil      90.3            8.64e+003    1000       
   Sediment  6.12            3.89e+004    0          
     Persistence Time: 8.51e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement