ChemSpider 2D Image | 2-(4-Chlorophenoxy)-N-(2-{(2E)-2-[(9-ethyl-9H-carbazol-3-yl)methylene]hydrazino}-2-oxoethyl)acetamide | C25H23ClN4O3

2-(4-Chlorophenoxy)-N-(2-{(2E)-2-[(9-ethyl-9H-carbazol-3-yl)methylene]hydrazino}-2-oxoethyl)acetamide

  • Molecular FormulaC25H23ClN4O3
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5268618

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-Chlorophenoxy)-N-(2-{(2E)-2-[(9-ethyl-9H-carbazol-3-yl)methylene]hydrazino}-2-oxoethyl)acetamide [ACD/IUPAC Name]
2-(4-Chlorophénoxy)-N-(2-{(2E)-2-[(9-éthyl-9H-carbazol-3-yl)méthylène]hydrazino}-2-oxoéthyl)acétamide [French] [ACD/IUPAC Name]
2-(4-Chlorphenoxy)-N-(2-{(2E)-2-[(9-ethyl-9H-carbazol-3-yl)methylen]hydrazino}-2-oxoethyl)acetamid [German] [ACD/IUPAC Name]
2-(4-chlorophenoxy)-N-(2-{(2E)-2-[(9-ethyl-9H-carbazol-3-yl)methylidene]hydrazinyl}-2-oxoethyl)acetamide (non-preferred name)
2-(4-Chloro-phenoxy)-N-(9-ethyl-9H-carbazol-3-ylmethylene-hydrazinocarbonylmethyl)-acetamide
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]acetamide
497225-36-2 [RN]
LTNKTNSEEGRWKM-CCVNUDIWSA-N

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

AN-988/40984427 [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) =  4.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  706.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  309.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.1E-017  (Modified Grain method)
    Subcooled liquid VP: 1.09E-013 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):  0.00821
       log Kow used: 4.76 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4958 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.07E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.268E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.76  (KowWin est)
  Log Kaw used:  -13.359  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.119
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4815
   Biowin2 (Non-Linear Model)     :   0.0540
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6024  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0090  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1926
   Biowin6 (MITI Non-Linear Model):   0.0011
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.0491
 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):  1.45E-011 Pa (1.09E-013 mm Hg)
  Log Koa (Koawin est  ): 18.119
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.06E+005 
       Octanol/air (Koa) model:  3.23E+005 
   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 = 228.9386 E-12 cm3/molecule-sec
      Half-Life =     0.047 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.561 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    :  7.318E+005
      Log Koc:  5.864 

 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 = 2.967 (BCF = 926.8)
       log Kow used: 4.76 (estimated)

 Volatilization from Water:
    Henry LC:  1.07E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.177E+012  hours   (4.905E+010 days)
    Half-Life from Model Lake : 1.284E+013  hours   (5.351E+011 days)

 Removal In Wastewater Treatment:
    Total removal:              68.67  percent
    Total biodegradation:        0.61  percent
    Total sludge adsorption:    68.06  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       0.00734         1.12         1000       
   Water     4.61            4.32e+003    1000       
   Soil      82.4            8.64e+003    1000       
   Sediment  13              3.89e+004    0          
     Persistence Time: 5.86e+003 hr

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