ChemSpider 2D Image | 2-(2,4-Dichlorophenoxy)-N-[4-(4-morpholinylcarbonyl)phenyl]acetamide | C19H18Cl2N2O4

2-(2,4-Dichlorophenoxy)-N-[4-(4-morpholinylcarbonyl)phenyl]acetamide

  • Molecular FormulaC19H18Cl2N2O4
  • Average mass409.263 Da
  • Monoisotopic mass408.064362 Da
  • ChemSpider ID20703730

More details:

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

2-(2,4-Dichlorophenoxy)-N-[4-(4-morpholinylcarbonyl)phenyl]acetamide [ACD/IUPAC Name]
2-(2,4-Dichlorophénoxy)-N-[4-(4-morpholinylcarbonyl)phényl]acétamide [French] [ACD/IUPAC Name]
2-(2,4-Dichlorphenoxy)-N-[4-(4-morpholinylcarbonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-(2,4-dichlorophenoxy)-N-[4-(4-morpholinylcarbonyl)phenyl]- [ACD/Index Name]
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylcarbonyl)phenyl]acetamide
2-(2,4-dichlorophenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
2-(2,4-Dichloro-phenoxy)-N-[4-(morpholine-4-carbonyl)-phenyl]-acetamide
889791-79-1 [RN]
AGN-PC-01CWZS
AKOS000504706
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 658.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.0±3.0 kJ/mol
    Flash Point: 352.2±31.5 °C
    Index of Refraction: 1.630
    Molar Refractivity: 103.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 2.95
    ACD/BCF (pH 5.5): 103.67
    ACD/KOC (pH 5.5): 964.72
    ACD/LogD (pH 7.4): 2.95
    ACD/BCF (pH 7.4): 103.66
    ACD/KOC (pH 7.4): 964.71
    Polar Surface Area: 68 Å2
    Polarizability: 41.1±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 291.0±3.0 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) =  2.47

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  575.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  247.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.22E-012  (Modified Grain method)
    Subcooled liquid VP: 3.2E-010 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):  21.01
       log Kow used: 2.47 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  44.563 mg/L

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

 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]:  3.127E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.47  (KowWin est)
  Log Kaw used:  -13.040  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.510
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3927
   Biowin2 (Non-Linear Model)     :   0.0671
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7063  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.4048  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1427
   Biowin6 (MITI Non-Linear Model):   0.0107
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.3055
 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):  4.27E-008 Pa (3.2E-010 mm Hg)
  Log Koa (Koawin est  ): 15.510
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  70.3 
       Octanol/air (Koa) model:  794 
   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 =  73.2464 E-12 cm3/molecule-sec
      Half-Life =     0.146 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.752 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    :  402.6
      Log Koc:  2.605 

 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 = 1.199 (BCF = 15.81)
       log Kow used: 2.47 (estimated)

 Volatilization from Water:
    Henry LC:  2.23E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.311E+011  hours   (2.213E+010 days)
    Half-Life from Model Lake : 5.794E+012  hours   (2.414E+011 days)

 Removal In Wastewater Treatment:
    Total removal:               3.01  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.91  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       3.05e-005       3.5          1000       
   Water     12.7            4.32e+003    1000       
   Soil      87.1            8.64e+003    1000       
   Sediment  0.109           3.89e+004    0          
     Persistence Time: 4.59e+003 hr

    Click to predict properties on the Chemicalize site


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