Found 1771 results

Search term: MF = 'C_{17}H_{14}BrN_{3}O_{2}'
ChemSpider 2D Image | 2-(2-Bromo-4-methylphenoxy)-N'-[(E)-(4-cyanophenyl)methylene]acetohydrazide | C17H14BrN3O2

2-(2-Bromo-4-methylphenoxy)-N'-[(E)-(4-cyanophenyl)methylene]acetohydrazide

  • Molecular FormulaC17H14BrN3O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5268124

  • Double-bond stereo - Double-bond stereo

More details:

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2-(2-Brom-4-methylphenoxy)-N'-[(E)-(4-cyanphenyl)methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-(2-Bromo-4-methylphenoxy)-N'-[(E)-(4-cyanophenyl)methylene]acetohydrazide [ACD/IUPAC Name]
2-(2-Bromo-4-méthylphénoxy)-N'-[(E)-(4-cyanophényl)méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-(2-bromo-4-methylphenoxy)-, 2-[(1E)-(4-cyanophenyl)methylene]hydrazide [ACD/Index Name]
(2-Bromo-4-methyl-phenoxy)-acetic acid (4-cyano-benzylidene)-hydrazide
2-(2-bromo-4-methylphenoxy)-N'-[(1E)-(4-cyanophenyl)methylene]acetohydrazide
2-(2-bromo-4-methylphenoxy)-N'-[(E)-(4-cyanophenyl)methylidene]acetohydrazide
2-(2-bromo-4-methylphenoxy)-N-[(E)-(4-cyanophenyl)methylideneamino]acetamide
2-(2-BROMO-4-METHYLPHENOXY)-N`-[(1E)-(4-CYANOPHENYL)METHYLIDENE]ACETOHYDRAZIDE
461681-33-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-329/40805598 [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) =  3.59

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  519.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  221.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.85E-011  (Modified Grain method)
    Subcooled liquid VP: 8.72E-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):  2.102
       log Kow used: 3.59 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.8181 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.14E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.596E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.59  (KowWin est)
  Log Kaw used:  -10.892  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.482
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9536
   Biowin2 (Non-Linear Model)     :   0.9711
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0253  (months      )
   Biowin4 (Primary Survey Model) :   3.1006  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1771
   Biowin6 (MITI Non-Linear Model):   0.0349
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0334
 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):  1.16E-006 Pa (8.72E-009 mm Hg)
  Log Koa (Koawin est  ): 14.482
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.58 
       Octanol/air (Koa) model:  74.5 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.989 
       Mackay model           :  0.995 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.2213 E-12 cm3/molecule-sec
      Half-Life =     0.529 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.347 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.178E+004
      Log Koc:  4.338 

 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 = 2.067 (BCF = 116.8)
       log Kow used: 3.59 (estimated)

 Volatilization from Water:
    Henry LC:  3.14E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.597E+009  hours   (1.499E+008 days)
    Half-Life from Model Lake : 3.924E+010  hours   (1.635E+009 days)

 Removal In Wastewater Treatment:
    Total removal:              15.25  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    15.04  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       0.000225        12.7         1000       
   Water     9.05            1.44e+003    1000       
   Soil      90              2.88e+003    1000       
   Sediment  0.978           1.3e+004     0          
     Persistence Time: 2.85e+003 hr

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