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Search term: MF = 'C_{34}H_{30}O_{2}'
ChemSpider 2D Image | 1,4-Bis[methoxy(diphenyl)methyl]benzene | C34H30O2

1,4-Bis[methoxy(diphenyl)methyl]benzene

  • Molecular FormulaC34H30O2
  • Average mass470.601 Da
  • Monoisotopic mass470.224579 Da
  • ChemSpider ID242274

More details:

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

1,4-Bis[methoxy(diphenyl)methyl]benzene [ACD/IUPAC Name]
1,4-Bis[méthoxy(diphényl)méthyl]benzène [French] [ACD/IUPAC Name]
1,4-Bis[methoxy(diphenyl)methyl]benzol [German] [ACD/IUPAC Name]
68883-10-3 [RN]
Benzene, 1,4-bis(methoxydiphenylmethyl)- [ACD/Index Name]
α,α'-Dimethoxy-α,α,α',α'-tetraphenyl-p-xylene
1,4-bis(methoxydiphenylmethyl)benzene
A,A'-DIMETHOXY-A,A,A',A'-TETRAPHENYL-P-XYLENE
A,A-DIMETHOXY-A,A,A,A-TETRAPHENYL-P-XYLENE
Benzene,1,4-bis(methoxydiphenylmethyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC122142 [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: 556.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 80.7±3.0 kJ/mol
    Flash Point: 175.5±28.3 °C
    Index of Refraction: 1.606
    Molar Refractivity: 145.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 9.94
    ACD/LogD (pH 5.5): 8.77
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1404050.50
    ACD/LogD (pH 7.4): 8.77
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1404050.50
    Polar Surface Area: 18 Å2
    Polarizability: 57.7±0.5 10-24cm3
    Surface Tension: 43.0±3.0 dyne/cm
    Molar Volume: 421.9±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) =  8.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  570.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  245.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.76E-012  (Modified Grain method)
    Subcooled liquid VP: 4.33E-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):  0.0001173
       log Kow used: 8.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3625e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.82E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.291E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.17  (KowWin est)
  Log Kaw used:  -8.806  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.976
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0267
   Biowin2 (Non-Linear Model)     :   0.0011
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8056  (months      )
   Biowin4 (Primary Survey Model) :   2.8620  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3517
   Biowin6 (MITI Non-Linear Model):   0.0005
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.9236
 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):  5.77E-008 Pa (4.33E-010 mm Hg)
  Log Koa (Koawin est  ): 16.976
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  52 
       Octanol/air (Koa) model:  2.32E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  23.9957 E-12 cm3/molecule-sec
      Half-Life =     0.446 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.349 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    :  3.419E+007
      Log Koc:  7.534 

 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 = 3.213 (BCF = 1634)
       log Kow used: 8.17 (estimated)

 Volatilization from Water:
    Henry LC:  3.82E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.325E+007  hours   (1.385E+006 days)
    Half-Life from Model Lake : 3.627E+008  hours   (1.511E+007 days)

 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  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       0.0509          10.7         1000       
   Water     1.29            1.44e+003    1000       
   Soil      35.5            2.88e+003    1000       
   Sediment  63.2            1.3e+004     0          
     Persistence Time: 5.29e+003 hr

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