ChemSpider 2D Image | 2-(2-Biphenylyloxy)-N'-[(2,4-dimethylphenoxy)acetyl]acetohydrazide | C24H24N2O4

2-(2-Biphenylyloxy)-N'-[(2,4-dimethylphenoxy)acetyl]acetohydrazide

  • Molecular FormulaC24H24N2O4
  • Average mass404.458 Da
  • Monoisotopic mass404.173615 Da
  • ChemSpider ID1650357

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

2-(2-Biphenylyloxy)-N'-[(2,4-dimethylphenoxy)acetyl]acetohydrazid [German] [ACD/IUPAC Name]
2-(2-Biphenylyloxy)-N'-[(2,4-dimethylphenoxy)acetyl]acetohydrazide [ACD/IUPAC Name]
2-(2-Biphénylyloxy)-N'-[2-(2,4-diméthylphénoxy)acétyl]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-([1,1'-biphenyl]-2-yloxy)-, 2-[2-(2,4-dimethylphenoxy)acetyl]hydrazide [ACD/Index Name]
(2,4-Dimethyl-phenoxy)-acetic acid N'-[2-(biphenyl-2-yloxy)-acetyl]-hydrazide
2-(2,4-dimethylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
2-(2,4-dimethylphenoxy)-N-[2-(2-phenylphenoxy)acetylamino]acetamide
2-(biphenyl-2-yloxy)-N'-[(2,4-dimethylphenoxy)acetyl]acetohydrazide
651295-64-6 [RN]
acetic acid, ([1,1'-biphenyl]-2-yloxy)-, 2-[2-(2,4-dimethylphenoxy)acetyl]hydrazide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC02855707 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 648.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.6±3.0 kJ/mol
    Flash Point: 346.0±31.5 °C
    Index of Refraction: 1.587
    Molar Refractivity: 114.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.37
    ACD/LogD (pH 5.5): 3.76
    ACD/BCF (pH 5.5): 421.88
    ACD/KOC (pH 5.5): 2634.59
    ACD/LogD (pH 7.4): 3.76
    ACD/BCF (pH 7.4): 420.89
    ACD/KOC (pH 7.4): 2628.38
    Polar Surface Area: 77 Å2
    Polarizability: 45.4±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 341.1±3.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.73

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  655.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  285.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.45E-015  (Modified Grain method)
    Subcooled liquid VP: 2.63E-012 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):  0.2607
       log Kow used: 4.73 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.26 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.11E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.043E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.73  (KowWin est)
  Log Kaw used:  -12.064  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.794
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0562
   Biowin2 (Non-Linear Model)     :   0.9911
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0614  (months      )
   Biowin4 (Primary Survey Model) :   3.2863  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1933
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4264
 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):  3.51E-010 Pa (2.63E-012 mm Hg)
  Log Koa (Koawin est  ): 16.794
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.56E+003 
       Octanol/air (Koa) model:  1.53E+004 
   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 =  70.8826 E-12 cm3/molecule-sec
      Half-Life =     0.151 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.811 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    :  2.741E+005
      Log Koc:  5.438 

 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 = 2.945 (BCF = 880.2)
       log Kow used: 4.73 (estimated)

 Volatilization from Water:
    Henry LC:  2.11E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.581E+010  hours   (2.325E+009 days)
    Half-Life from Model Lake : 6.088E+011  hours   (2.537E+010 days)

 Removal In Wastewater Treatment:
    Total removal:              67.35  percent
    Total biodegradation:        0.61  percent
    Total sludge adsorption:    66.74  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       0.0325          3.62         1000       
   Water     8.48            1.44e+003    1000       
   Soil      77.3            2.88e+003    1000       
   Sediment  14.2            1.3e+004     0          
     Persistence Time: 2.58e+003 hr

    Click to predict properties on the Chemicalize site


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