Found 2019 results

Search term: MF = 'C_{16}H_{22}Cl_{2}N_{2}O_{2}'
ChemSpider 2D Image | N-(2,3-Dichlorophenyl)-N'-(2-ethylhexyl)ethanediamide | C16H22Cl2N2O2

N-(2,3-Dichlorophenyl)-N'-(2-ethylhexyl)ethanediamide

  • Molecular FormulaC16H22Cl2N2O2
  • Average mass345.264 Da
  • Monoisotopic mass344.105835 Da
  • ChemSpider ID2190362

More details:

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

Ethanediamide, N1-(2,3-dichlorophenyl)-N2-(2-ethylhexyl)- [ACD/Index Name]
N-(2,3-Dichlorophenyl)-N'-(2-ethylhexyl)ethanediamide [ACD/IUPAC Name]
N-(2,3-Dichlorophényl)-N'-(2-éthylhexyl)éthanediamide [French] [ACD/IUPAC Name]
N-(2,3-Dichlorphenyl)-N'-(2-ethylhexyl)ethandiamid [German] [ACD/IUPAC Name]
339232-05-2 [RN]
N-(2,3-Dichloro-phenyl)-N'-(2-ethyl-hexyl)-oxalamide
N'-(2,3-dichlorophenyl)-N-(2-ethylhexyl)oxamide
N1-(2,3-dichlorophenyl)-N2-(2-ethylhexyl)ethanediamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.552
    Molar Refractivity: 91.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.41
    ACD/LogD (pH 5.5): 4.78
    ACD/BCF (pH 5.5): 2522.90
    ACD/KOC (pH 5.5): 9476.95
    ACD/LogD (pH 7.4): 4.78
    ACD/BCF (pH 7.4): 2511.09
    ACD/KOC (pH 7.4): 9432.58
    Polar Surface Area: 58 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 284.8±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) =  4.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  525.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  224.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.53E-011  (Modified Grain method)
    Subcooled liquid VP: 6.21E-009 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):  0.4052
       log Kow used: 4.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17.927 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.70E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.079E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.93  (KowWin est)
  Log Kaw used:  -8.502  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.432
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7471
   Biowin2 (Non-Linear Model)     :   0.7860
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2129  (months      )
   Biowin4 (Primary Survey Model) :   3.6988  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1724
   Biowin6 (MITI Non-Linear Model):   0.0251
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.9033
 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):  8.28E-007 Pa (6.21E-009 mm Hg)
  Log Koa (Koawin est  ): 13.432
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.62 
       Octanol/air (Koa) model:  6.64 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.992 
       Mackay model           :  0.997 
       Octanol/air (Koa) model:  0.998 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.0401 E-12 cm3/molecule-sec
      Half-Life =     0.381 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.577 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  793.8
      Log Koc:  2.900 

 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 = 3.098 (BCF = 1255)
       log Kow used: 4.93 (estimated)

 Volatilization from Water:
    Henry LC:  7.7E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.413E+007  hours   (5.887E+005 days)
    Half-Life from Model Lake : 1.541E+008  hours   (6.422E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              75.36  percent
    Total biodegradation:        0.66  percent
    Total sludge adsorption:    74.70  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       0.042           9.16         1000       
   Water     7.11            1.44e+003    1000       
   Soil      74.2            2.88e+003    1000       
   Sediment  18.6            1.3e+004     0          
     Persistence Time: 3e+003 hr

    Click to predict properties on the Chemicalize site


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