ChemSpider 2D Image | 1-Methoxy-4-(1,2,2-tris(4-methoxyphenyl)vinyl)benzene | C30H28O4

1-Methoxy-4-(1,2,2-tris(4-methoxyphenyl)vinyl)benzene

  • Molecular FormulaC30H28O4
  • Average mass452.541 Da
  • Monoisotopic mass452.198761 Da
  • ChemSpider ID23183

More details:

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

1,1',1'',1'''-(1,1,2,2-Ethenetetrayl)tetrakis(4-methoxybenzene) [ACD/IUPAC Name]
1,1',1'',1'''-(1,1,2,2-Éthènetétrayl)tétrakis(4-méthoxybenzène) [French] [ACD/IUPAC Name]
1,1',1'',1'''-(1,1,2,2-Ethentetrayl)tetrakis(4-methoxybenzol) [German] [ACD/IUPAC Name]
1,1',1'',1'''-Ethene-1,1,2,2-tetrayltetrakis(4-methoxybenzene)
10019-24-6 [RN]
1-Methoxy-4-(1,2,2-tris(4-methoxyphenyl)vinyl)benzene
Benzene, 1,1',1'',1'''-(1,2-ethenediylidene)tetrakis[4-methoxy- [ACD/Index Name]
1,1,2,2-Tetra(4-methoxyphenyl)ethene
1,1,2,2-Tetrakis(4-methoxyphenyl)ethene
1,1,2,2-Tetrakis(p-methoxyphenyl)ethene
More...

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

AIDS126917 [DBID]
AIDS-126917 [DBID]
NSC 132124 [DBID]
NSC132124 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 574.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 123.1±35.6 °C
    Index of Refraction: 1.595
    Molar Refractivity: 136.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 8.19
    ACD/LogD (pH 5.5): 6.94
    ACD/BCF (pH 5.5): 110701.67
    ACD/KOC (pH 5.5): 141965.89
    ACD/LogD (pH 7.4): 6.94
    ACD/BCF (pH 7.4): 110701.67
    ACD/KOC (pH 7.4): 141965.89
    Polar Surface Area: 37 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 41.3±3.0 dyne/cm
    Molar Volume: 401.5±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) =  6.77

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  554.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  237.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.78E-012  (Modified Grain method)
    Subcooled liquid VP: 1.15E-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):  0.002368
       log Kow used: 6.77 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00013793 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.04E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.453E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.77  (KowWin est)
  Log Kaw used:  -9.906  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.676
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0597
   Biowin2 (Non-Linear Model)     :   0.9962
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9666  (months      )
   Biowin4 (Primary Survey Model) :   3.5033  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2798
   Biowin6 (MITI Non-Linear Model):   0.0374
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2970
 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):  1.53E-007 Pa (1.15E-009 mm Hg)
  Log Koa (Koawin est  ): 16.676
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  19.6 
       Octanol/air (Koa) model:  1.16E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 194.1870 E-12 cm3/molecule-sec
      Half-Life =     0.055 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.661 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  3628.799805 E-17 cm3/molecule-sec
      Half-Life =     0.000 Days (at 7E11 mol/cm3)
      Half-Life =      0.455 Min
   Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.569E+008
      Log Koc:  8.196 

 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 = 4.514 (BCF = 3.266e+004)
       log Kow used: 6.77 (estimated)

 Volatilization from Water:
    Henry LC:  3.04E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.097E+008  hours   (1.707E+007 days)
    Half-Life from Model Lake :  4.47E+009  hours   (1.862E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              93.71  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.93  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       8.04e-005       0.00754      1000       
   Water     1.7             1.44e+003    1000       
   Soil      31.1            2.88e+003    1000       
   Sediment  67.1            1.3e+004     0          
     Persistence Time: 4.47e+003 hr

    Click to predict properties on the Chemicalize site


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