ChemSpider 2D Image | METHYL (2-CHLOROBENZYLIDENE)CARBAZATE | C9H9ClN2O2

METHYL (2-CHLOROBENZYLIDENE)CARBAZATE

  • Molecular FormulaC9H9ClN2O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5259170

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-Chlorobenzylidène)hydrazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Hydrazinecarboxylic acid, 2-[(2-chlorophenyl)methylene]-, methyl ester, (2E)- [ACD/Index Name]
METHYL (2-CHLOROBENZYLIDENE)CARBAZATE
Methyl (2E)-2-(2-chlorobenzylidene)hydrazinecarboxylate [ACD/IUPAC Name]
Methyl-(2E)-2-(2-chlorbenzyliden)hydrazincarboxylat [German] [ACD/IUPAC Name]
MFCD00160859 [MDL number]
200280-89-3 [RN]
methyl 2-[(E)-(2-chlorophenyl)methylidene]-1-hydrazinecarboxylate
N'-[(1E)-(2-chlorophenyl)methylidene]methoxycarbohydrazide
N-[(1E)-2-(2-chlorophenyl)-1-azavinyl]methoxycarboxamide

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) =  2.18

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  299.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  70.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000766  (Modified Grain method)
    Subcooled liquid VP: 0.00204 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):  520.3
       log Kow used: 2.18 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  742.54 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.33E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.119E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.18  (KowWin est)
  Log Kaw used:  -6.587  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.767
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4639
   Biowin2 (Non-Linear Model)     :   0.1165
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5227  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3756  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1092
   Biowin6 (MITI Non-Linear Model):   0.0444
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0056
 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):  0.272 Pa (0.00204 mm Hg)
  Log Koa (Koawin est  ): 8.767
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.1E-005 
       Octanol/air (Koa) model:  0.000144 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000398 
       Mackay model           :  0.000882 
       Octanol/air (Koa) model:  0.0114 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.9434 E-12 cm3/molecule-sec
      Half-Life =     1.540 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.485 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00064 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1515
      Log Koc:  3.180 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.683E-005  L/mol-sec
  Kb Half-Life at pH 8:     818.450  years  
  Kb Half-Life at pH 7:    8184.498  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.977 (BCF = 9.474)
       log Kow used: 2.18 (estimated)

 Volatilization from Water:
    Henry LC:  6.33E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.349E+005  hours   (5620 days)
    Half-Life from Model Lake : 1.472E+006  hours   (6.131E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               2.45  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.35  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       0.0548          37           1000       
   Water     20.3            900          1000       
   Soil      79.5            1.8e+003     1000       
   Sediment  0.099           8.1e+003     0          
     Persistence Time: 1.47e+003 hr

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