Found 2954 results

Search term: MF = 'C_{21}H_{19}ClN_{2}O_{3}'
ChemSpider 2D Image | 2-(4-Chloro-2-methylphenoxy)-N'-[(E)-(4-methoxy-1-naphthyl)methylene]acetohydrazide | C21H19ClN2O3

2-(4-Chloro-2-methylphenoxy)-N'-[(E)-(4-methoxy-1-naphthyl)methylene]acetohydrazide

  • Molecular FormulaC21H19ClN2O3
  • Average mass382.840 Da
  • Monoisotopic mass382.108429 Da
  • ChemSpider ID7839694

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-Chlor-2-methylphenoxy)-N'-[(E)-(4-methoxy-1-naphthyl)methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-(4-Chloro-2-methylphenoxy)-N'-[(E)-(4-methoxy-1-naphthyl)methylene]acetohydrazide [ACD/IUPAC Name]
2-(4-Chloro-2-méthylphénoxy)-N'-[(E)-(4-méthoxy-1-naphtyl)méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-(4-chloro-2-methylphenoxy)-, 2-[(1E)-(4-methoxy-1-naphthalenyl)methylene]hydrazide [ACD/Index Name]
(4-Chloro-2-methyl-phenoxy)-acetic acid (4-methoxy-naphthalen-1-ylmethylene)-hydrazide
2-(4-chloro-2-methylphenoxy)-N'-[(1E)-(4-methoxy-1-naphthyl)methylene]acetohydrazide
2-(4-chloro-2-methylphenoxy)-N'-[(E)-(4-methoxy-1-naphthyl)methylidene]acetohydrazide
2-(4-chloro-2-methylphenoxy)-N'-[(E)-(4-methoxynaphthalen-1-yl)methylidene]acetohydrazide
2-(4-chloro-2-methylphenoxy)-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
2-(4-CHLORO-2-METHYLPHENOXY)-N`-[(1E)-(4-METHOXYNAPHTHALEN-1-YL)METHYLIDENE]ACETOHYDRAZIDE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-329/40613908 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.592
    Molar Refractivity: 105.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 6.10
    ACD/LogD (pH 5.5): 5.18
    ACD/BCF (pH 5.5): 5054.64
    ACD/KOC (pH 5.5): 15584.53
    ACD/LogD (pH 7.4): 5.18
    ACD/BCF (pH 7.4): 5054.25
    ACD/KOC (pH 7.4): 15583.35
    Polar Surface Area: 60 Å2
    Polarizability: 41.9±0.5 10-24cm3
    Surface Tension: 42.7±7.0 dyne/cm
    Molar Volume: 312.3±7.0 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) =  5.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  555.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  238.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.23E-012  (Modified Grain method)
    Subcooled liquid VP: 1.06E-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):  0.187
       log Kow used: 5.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.13272 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.49E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.409E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.06  (KowWin est)
  Log Kaw used:  -10.846  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.906
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7014
   Biowin2 (Non-Linear Model)     :   0.6526
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9554  (months      )
   Biowin4 (Primary Survey Model) :   3.2157  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1253
   Biowin6 (MITI Non-Linear Model):   0.0180
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4613
 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):  1.41E-007 Pa (1.06E-009 mm Hg)
  Log Koa (Koawin est  ): 15.906
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  21.2 
       Octanol/air (Koa) model:  1.98E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 133.1012 E-12 cm3/molecule-sec
      Half-Life =     0.080 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.964 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.025E+005
      Log Koc:  5.481 

 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 = 3.195 (BCF = 1567)
       log Kow used: 5.06 (estimated)

 Volatilization from Water:
    Henry LC:  3.49E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.282E+009  hours   (1.368E+008 days)
    Half-Life from Model Lake : 3.581E+010  hours   (1.492E+009 days)

 Removal In Wastewater Treatment:
    Total removal:              79.52  percent
    Total biodegradation:        0.69  percent
    Total sludge adsorption:    78.83  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       0.00169         1.93         1000       
   Water     6.03            1.44e+003    1000       
   Soil      73              2.88e+003    1000       
   Sediment  21              1.3e+004     0          
     Persistence Time: 3.49e+003 hr

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