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Search term: MF = 'C_{32}H_{24}N_{2}O_{2}'
ChemSpider 2D Image | N,N'-1,2-Phenylenedibiphenyl-4-carboxamide | C32H24N2O2

N,N'-1,2-Phenylenedibiphenyl-4-carboxamide

  • Molecular FormulaC32H24N2O2
  • Average mass468.545 Da
  • Monoisotopic mass468.183777 Da
  • ChemSpider ID1403327

More details:

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

[1,1'-Biphenyl]-4-carboxamide, N,N'-1,2-phenylenebis- [ACD/Index Name]
N,N'-1,2-Phenylendi(4-biphenylcarboxamid) [German] [ACD/IUPAC Name]
N,N'-1,2-Phenylenedi(4-biphenylcarboxamide) [ACD/IUPAC Name]
N,N'-1,2-Phénylènedi(4-biphénylcarboxamide) [French] [ACD/IUPAC Name]
N,N'-1,2-Phenylenedibiphenyl-4-carboxamide
(4-phenylphenyl)-N-{2-[(4-phenylphenyl)carbonylamino]phenyl}carboxamide
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]phenyl]benzamide
501105-52-8 [RN]
AC1LWXN1
AGN-PC-0K954S
More...

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

AN-329/33947051 [DBID]
ZINC02132557 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 563.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 140.7±30.3 °C
    Index of Refraction: 1.691
    Molar Refractivity: 144.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 6.67
    ACD/LogD (pH 5.5): 6.28
    ACD/BCF (pH 5.5): 34955.82
    ACD/KOC (pH 5.5): 62206.41
    ACD/LogD (pH 7.4): 6.28
    ACD/BCF (pH 7.4): 34955.55
    ACD/KOC (pH 7.4): 62205.93
    Polar Surface Area: 58 Å2
    Polarizability: 57.3±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 377.7±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) =  6.41

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  766.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  337.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.39E-019  (Modified Grain method)
    Subcooled liquid VP: 2.6E-015 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):  0.00383
       log Kow used: 6.41 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3768e-006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.59E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.190E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.41  (KowWin est)
  Log Kaw used:  -12.975  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.385
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2010
   Biowin2 (Non-Linear Model)     :   0.9952
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0993  (months      )
   Biowin4 (Primary Survey Model) :   3.5924  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2478
   Biowin6 (MITI Non-Linear Model):   0.0014
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.9628
 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):  3.47E-013 Pa (2.6E-015 mm Hg)
  Log Koa (Koawin est  ): 19.385
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.65E+006 
       Octanol/air (Koa) model:  5.96E+006 
   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 =  19.4458 E-12 cm3/molecule-sec
      Half-Life =     0.550 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.601 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    :  6.945E+006
      Log Koc:  6.842 

 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 = 4.234 (BCF = 1.715e+004)
       log Kow used: 6.41 (estimated)

 Volatilization from Water:
    Henry LC:  2.59E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.893E+011  hours   (2.039E+010 days)
    Half-Life from Model Lake : 5.338E+012  hours   (2.224E+011 days)

 Removal In Wastewater Treatment:
    Total removal:              93.30  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.52  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       0.0752          13.2         1000       
   Water     1.93            1.44e+003    1000       
   Soil      37.9            2.88e+003    1000       
   Sediment  60.1            1.3e+004     0          
     Persistence Time: 4.74e+003 hr

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