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Search term: MF = 'C_{28}H_{25}NO_{2}'
ChemSpider 2D Image | 2,2-Diphenyl-N-[4-(2-phenylethoxy)phenyl]acetamide | C28H25NO2

2,2-Diphenyl-N-[4-(2-phenylethoxy)phenyl]acetamide

  • Molecular FormulaC28H25NO2
  • Average mass407.504 Da
  • Monoisotopic mass407.188538 Da
  • ChemSpider ID12961156

More details:

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

2,2-Diphenyl-N-[4-(2-phenylethoxy)phenyl]acetamid [German] [ACD/IUPAC Name]
2,2-Diphenyl-N-[4-(2-phenylethoxy)phenyl]acetamide [ACD/IUPAC Name]
2,2-Diphényl-N-[4-(2-phényléthoxy)phényl]acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-phenyl-N-[4-(2-phenylethoxy)phenyl]- [ACD/Index Name]
895353-32-9 [RN]
benzeneacetamide, a-phenyl-N-[4-(2-phenylethoxy)phenyl]-
MFCD08075076
N-(4-Phenethyloxy-phenyl)-2,2-diphenyl-acetamide
N-[4-(phenethyloxy)phenyl]-2,2-diphenylacetamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 638.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.3±3.0 kJ/mol
    Flash Point: 339.8±31.5 °C
    Index of Refraction: 1.638
    Molar Refractivity: 125.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.99
    ACD/LogD (pH 5.5): 6.00
    ACD/BCF (pH 5.5): 21286.12
    ACD/KOC (pH 5.5): 43614.68
    ACD/LogD (pH 7.4): 6.00
    ACD/BCF (pH 7.4): 21286.88
    ACD/KOC (pH 7.4): 43616.26
    Polar Surface Area: 38 Å2
    Polarizability: 49.6±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 348.3±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) =  6.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  586.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  253.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.38E-013  (Modified Grain method)
    Subcooled liquid VP: 1.64E-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):  0.005002
       log Kow used: 6.72 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0002546 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.55E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.767E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.72  (KowWin est)
  Log Kaw used:  -10.982  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.702
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3892
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1026  (months      )
   Biowin4 (Primary Survey Model) :   3.4200  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0383
   Biowin6 (MITI Non-Linear Model):   0.0151
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8896
 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):  2.19E-008 Pa (1.64E-010 mm Hg)
  Log Koa (Koawin est  ): 17.702
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  137 
       Octanol/air (Koa) model:  1.24E+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 =  37.0779 E-12 cm3/molecule-sec
      Half-Life =     0.288 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.462 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    :  3.338E+006
      Log Koc:  6.523 

 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 = 4.476 (BCF = 2.99e+004)
       log Kow used: 6.72 (estimated)

 Volatilization from Water:
    Henry LC:  2.55E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.635E+009  hours   (1.931E+008 days)
    Half-Life from Model Lake : 5.056E+010  hours   (2.107E+009 days)

 Removal In Wastewater Treatment:
    Total removal:              93.67  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.90  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       0.00486         6.92         1000       
   Water     1.45            1.44e+003    1000       
   Soil      43              2.88e+003    1000       
   Sediment  55.6            1.3e+004     0          
     Persistence Time: 5.85e+003 hr

    Click to predict properties on the Chemicalize site


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