ChemSpider 2D Image | Ethyl (2Z)-[(3-chlorophenyl)hydrazono](3,4-dihydro-1(2H)-quinolinyl)acetate | C19H20ClN3O2

Ethyl (2Z)-[(3-chlorophenyl)hydrazono](3,4-dihydro-1(2H)-quinolinyl)acetate

  • Molecular FormulaC19H20ClN3O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5269691
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-[(3-Chlorophényl)hydrazono](3,4-dihydro-1(2H)-quinoléinyl)acétate d'éthyle [French] [ACD/IUPAC Name]
1(2H)-Quinolineacetic acid, α-[2-(3-chlorophenyl)hydrazinylidene]-3,4-dihydro-, ethyl ester, (αZ)- [ACD/Index Name]
Ethyl (2Z)-[(3-chlorophenyl)hydrazono](3,4-dihydro-1(2H)-quinolinyl)acetate [ACD/IUPAC Name]
Ethyl-(2Z)-[(3-chlorphenyl)hydrazono](3,4-dihydro-1(2H)-chinolinyl)acetat [German] [ACD/IUPAC Name]
(Z)-ethyl 2-(2-(3-chlorophenyl)hydrazono)-2-(3,4-dihydroquinolin-1(2H)-yl)acetate
670265-00-6 [RN]
c19h20cln3o2
Ethyl (2Z)-[(3-chlorophenyl)hydrazono](3,4-dihydroquinolin-1(2H)-yl)acetate
ethyl (2Z)-[2-(3-chlorophenyl)hydrazinylidene](3,4-dihydroquinolin-1(2H)-yl)ethanoate
ethyl (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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) =  5.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  452.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  181.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.02E-008  (Modified Grain method)
    Subcooled liquid VP: 4.38E-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):  0.245
       log Kow used: 5.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.78633 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.79E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.960E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.10  (KowWin est)
  Log Kaw used:  -8.136  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.236
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6236
   Biowin2 (Non-Linear Model)     :   0.6384
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2671  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3265  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0968
   Biowin6 (MITI Non-Linear Model):   0.0215
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5732
 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):  5.84E-005 Pa (4.38E-007 mm Hg)
  Log Koa (Koawin est  ): 13.236
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0514 
       Octanol/air (Koa) model:  4.23 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.65 
       Mackay model           :  0.804 
       Octanol/air (Koa) model:  0.997 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 214.9076 E-12 cm3/molecule-sec
      Half-Life =     0.050 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.597 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.727 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.869E+004
      Log Koc:  4.769 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.843E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.759  years  
  Kb Half-Life at pH 7:      37.592  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.227 (BCF = 1687)
       log Kow used: 5.10 (estimated)

 Volatilization from Water:
    Henry LC:  1.79E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.187E+006  hours   (2.578E+005 days)
    Half-Life from Model Lake :  6.75E+007  hours   (2.812E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              80.63  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    79.94  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       0.00332         1.19         1000       
   Water     7.91            900          1000       
   Soil      69.6            1.8e+003     1000       
   Sediment  22.5            8.1e+003     0          
     Persistence Time: 2.22e+003 hr




                    

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