ChemSpider 2D Image | 4-[(2E)-2-(9-Anthrylmethylene)hydrazino]-N-(2,4-dichlorophenyl)-4-oxobutanamide | C25H19Cl2N3O2

4-[(2E)-2-(9-Anthrylmethylene)hydrazino]-N-(2,4-dichlorophenyl)-4-oxobutanamide

  • Molecular FormulaC25H19Cl2N3O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5261130

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(2E)-2-(9-Anthrylmethylen)hydrazino]-N-(2,4-dichlorphenyl)-4-oxobutanamid [German] [ACD/IUPAC Name]
4-[(2E)-2-(9-Anthrylmethylene)hydrazino]-N-(2,4-dichlorophenyl)-4-oxobutanamide [ACD/IUPAC Name]
4-[(2E)-2-(9-Anthrylméthylène)hydrazino]-N-(2,4-dichlorophényl)-4-oxobutanamide [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(2,4-dichlorophenyl)amino]-4-oxo-, 2-[(1E)-9-anthracenylmethylene]hydrazide [ACD/Index Name]
(E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(2,4-dichlorophenyl)-4-oxobutanamide
3-{N'-[(1E)-(anthracen-9-yl)methylidene]hydrazinecarbonyl}-N-(2,4-dichlorophenyl)propanamide
356563-44-5 [RN]
4-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
4-{2-[(E)-9-anthrylmethylidene]hydrazino}-N-(2,4-dichlorophenyl)-4-oxobutanamide
butanoic acid, 4-[(2,4-dichlorophenyl)amino]-4-oxo-, (9-anthracenylmethylene)hydrazide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-329/40760289 [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) =  4.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  717.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  314.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.28E-017  (Modified Grain method)
    Subcooled liquid VP: 5.8E-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):  0.008793
       log Kow used: 4.72 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0081894 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.23E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.279E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.72  (KowWin est)
  Log Kaw used:  -13.040  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.760
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3718
   Biowin2 (Non-Linear Model)     :   0.0072
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7056  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0525  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3426
   Biowin6 (MITI Non-Linear Model):   0.0004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5964
 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):  7.73E-012 Pa (5.8E-014 mm Hg)
  Log Koa (Koawin est  ): 17.760
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.88E+005 
       Octanol/air (Koa) model:  1.41E+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 = 108.8610 E-12 cm3/molecule-sec
      Half-Life =     0.098 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.179 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    :  2.95E+006
      Log Koc:  6.470 

 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 = 2.932 (BCF = 855.1)
       log Kow used: 4.72 (estimated)

 Volatilization from Water:
    Henry LC:  2.23E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.658E+011  hours   (2.357E+010 days)
    Half-Life from Model Lake : 6.172E+012  hours   (2.572E+011 days)

 Removal In Wastewater Treatment:
    Total removal:              66.90  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    66.29  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       0.0161          2.36         1000       
   Water     4.77            4.32e+003    1000       
   Soil      83              8.64e+003    1000       
   Sediment  12.2            3.89e+004    0          
     Persistence Time: 5.7e+003 hr

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