ChemSpider 2D Image | N-{2-[(2E)-2-{[5-(3,4-Dichlorophenyl)-2-furyl]methylene}hydrazino]-2-oxoethyl}-2-(2-naphthyloxy)acetamide | C25H19Cl2N3O4

N-{2-[(2E)-2-{[5-(3,4-Dichlorophenyl)-2-furyl]methylene}hydrazino]-2-oxoethyl}-2-(2-naphthyloxy)acetamide

  • Molecular FormulaC25H19Cl2N3O4
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5267891

  • Double-bond stereo - Double-bond stereo

More details:

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

N-{2-[(2E)-2-{[5-(3,4-Dichlorophenyl)-2-furyl]methylene}hydrazino]-2-oxoethyl}-2-(2-naphthyloxy)acetamide [ACD/IUPAC Name]
N-{2-[(2E)-2-{[5-(3,4-Dichlorophényl)-2-furyl]méthylène}hydrazino]-2-oxoéthyl}-2-(2-naphtyloxy)acétamide [French] [ACD/IUPAC Name]
N-{2-[(2E)-2-{[5-(3,4-Dichlorphenyl)-2-furyl]methylen}hydrazino]-2-oxoethyl}-2-(2-naphthyloxy)acetamid [German] [ACD/IUPAC Name]
445406-72-4 [RN]
CUUDMJYKGDEBLV-VFLNYLIXSA-N
N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide

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

AM-879/40769348 [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) =  5.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  736.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  323.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.62E-018  (Modified Grain method)
    Subcooled liquid VP: 1.76E-014 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):  0.01923
       log Kow used: 5.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.23321 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.20E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.588E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.38  (KowWin est)
  Log Kaw used:  -12.883  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.263
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4885
   Biowin2 (Non-Linear Model)     :   0.0418
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5768  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0835  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2426
   Biowin6 (MITI Non-Linear Model):   0.0006
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4184
 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):  2.35E-012 Pa (1.76E-014 mm Hg)
  Log Koa (Koawin est  ): 18.263
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.28E+006 
       Octanol/air (Koa) model:  4.5E+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 = 265.2086 E-12 cm3/molecule-sec
      Half-Life =     0.040 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.038 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   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    :  9.847E+006
      Log Koc:  6.993 

 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 = 3.442 (BCF = 2770)
       log Kow used: 5.38 (estimated)

 Volatilization from Water:
    Henry LC:  3.2E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.076E+011  hours   (1.698E+010 days)
    Half-Life from Model Lake : 4.447E+012  hours   (1.853E+011 days)

 Removal In Wastewater Treatment:
    Total removal:              86.57  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    85.83  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       0.00638         0.968        1000       
   Water     3.11            4.32e+003    1000       
   Soil      63              8.64e+003    1000       
   Sediment  33.9            3.89e+004    0          
     Persistence Time: 6.86e+003 hr

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