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Search term: MF = 'C_{32}H_{24}N_{2}O_{2}'
ChemSpider 2D Image | (2E,2'E)-N,N'-1,2-Phenylenebis[3-(1-naphthyl)acrylamide] | C32H24N2O2

(2E,2'E)-N,N'-1,2-Phenylenebis[3-(1-naphthyl)acrylamide]

  • Molecular FormulaC32H24N2O2
  • Average mass468.545 Da
  • Monoisotopic mass468.183777 Da
  • ChemSpider ID4788964

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,2'E)-N,N'-1,2-Phenylenbis[3-(1-naphthyl)acrylamid] [German] [ACD/IUPAC Name]
(2E,2'E)-N,N'-1,2-Phenylenebis[3-(1-naphthyl)acrylamide] [ACD/IUPAC Name]
(2E,2'E)-N,N'-1,2-Phénylènebis[3-(1-naphtyl)acrylamide] [French] [ACD/IUPAC Name]
2-Propenamide, N,N'-1,2-phenylenebis[3-(1-naphthalenyl)-, (2E,2'E)- [ACD/Index Name]
(2E)-3-(NAPHTHALEN-1-YL)-N-{2-[(2E)-3-(NAPHTHALEN-1-YL)PROP-2-ENAMIDO]PHENYL}PROP-2-ENAMIDE
(2E)-N-[2-((2E)-3-naphthylprop-2-enoylamino)phenyl]-3-naphthylprop-2-enamide
(2E,2'E)-N,N'-benzene-1,2-diylbis[3-(naphthalen-1-yl)prop-2-enamide]
(E)-3-(1-naphthyl)-N-(2-{[(E)-3-(1-naphthyl)-2-propenoyl]amino}phenyl)-2-propenamide
(E)-3-naphthalen-1-yl-N-[2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]phenyl]prop-2-enamide
356104-04-6 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 788.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 114.7±3.0 kJ/mol
    Flash Point: 240.6±33.0 °C
    Index of Refraction: 1.783
    Molar Refractivity: 152.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 8.06
    ACD/LogD (pH 5.5): 6.75
    ACD/BCF (pH 5.5): 78821.74
    ACD/KOC (pH 5.5): 111324.63
    ACD/LogD (pH 7.4): 6.75
    ACD/BCF (pH 7.4): 78826.41
    ACD/KOC (pH 7.4): 111331.23
    Polar Surface Area: 58 Å2
    Polarizability: 60.3±0.5 10-24cm3
    Surface Tension: 63.2±3.0 dyne/cm
    Molar Volume: 361.6±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) =  5.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  765.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  336.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.05E-019  (Modified Grain method)
    Subcooled liquid VP: 2.79E-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):  0.002161
       log Kow used: 5.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3177e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.95E-017  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.297E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.40  (KowWin est)
  Log Kaw used:  -14.614  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  20.014
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9448
   Biowin2 (Non-Linear Model)     :   0.8504
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0553  (months      )
   Biowin4 (Primary Survey Model) :   3.5826  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2559
   Biowin6 (MITI Non-Linear Model):   0.0010
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.3115
 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):  3.72E-013 Pa (2.79E-015 mm Hg)
  Log Koa (Koawin est  ): 20.014
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.06E+006 
       Octanol/air (Koa) model:  2.54E+007 
   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 = 149.9823 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 155.3023 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.856 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.826 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     4.200000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    13.097 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.549 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   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    :  4.162E+007
      Log Koc:  7.619 

 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 = 3.458 (BCF = 2868)
       log Kow used: 5.40 (estimated)

 Volatilization from Water:
    Henry LC:  5.95E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  2.13E+013  hours   (8.875E+011 days)
    Half-Life from Model Lake : 2.324E+014  hours   (9.682E+012 days)

 Removal In Wastewater Treatment:
    Total removal:              86.88  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    86.15  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       0.0211          1.51         1000       
   Water     5.8             1.44e+003    1000       
   Soil      53.3            2.88e+003    1000       
   Sediment  40.9            1.3e+004     0          
     Persistence Time: 2.92e+003 hr

    Click to predict properties on the Chemicalize site


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