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Search term: MF = 'C_{24}H_{22}O_{2}'
ChemSpider 2D Image | 4-(4-Methoxyphenyl)-3-methyl-2-(4-methylphenyl)-4H-chromene | C24H22O2

4-(4-Methoxyphenyl)-3-methyl-2-(4-methylphenyl)-4H-chromene

  • Molecular FormulaC24H22O2
  • Average mass342.430 Da
  • Monoisotopic mass342.161987 Da
  • ChemSpider ID3601798

More details:

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

4-(4-Methoxyphenyl)-3-methyl-2-(4-methylphenyl)-4H-chromen [German] [ACD/IUPAC Name]
4-(4-Methoxyphenyl)-3-methyl-2-(4-methylphenyl)-4H-chromene [ACD/IUPAC Name]
4-(4-Méthoxyphényl)-3-méthyl-2-(4-méthylphényl)-4H-chromène [French] [ACD/IUPAC Name]
4H-1-Benzopyran, 4-(4-methoxyphenyl)-3-methyl-2-(4-methylphenyl)- [ACD/Index Name]
705269-19-8 [RN]
AC1N8V6C
AGN-PC-0LAH7Y
AKOS001490657
AKOS022006823
MCULE-9533191129
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 478.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 177.3±28.3 °C
    Index of Refraction: 1.602
    Molar Refractivity: 104.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 6.76
    ACD/LogD (pH 5.5): 6.42
    ACD/BCF (pH 5.5): 44502.81
    ACD/KOC (pH 5.5): 73943.23
    ACD/LogD (pH 7.4): 6.42
    ACD/BCF (pH 7.4): 44502.81
    ACD/KOC (pH 7.4): 73943.23
    Polar Surface Area: 18 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 305.2±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) =  6.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  453.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  179.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.76E-009  (Modified Grain method)
    Subcooled liquid VP: 3.96E-007 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):  0.009858
       log Kow used: 6.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00048766 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.50E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.461E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.84  (KowWin est)
  Log Kaw used:  -4.735  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.575
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9577
   Biowin2 (Non-Linear Model)     :   0.9781
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1765  (months      )
   Biowin4 (Primary Survey Model) :   3.3709  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2150
   Biowin6 (MITI Non-Linear Model):   0.0651
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5653
 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):  5.28E-005 Pa (3.96E-007 mm Hg)
  Log Koa (Koawin est  ): 11.575
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0568 
       Octanol/air (Koa) model:  0.0923 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.672 
       Mackay model           :  0.82 
       Octanol/air (Koa) model:  0.881 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 169.5820 E-12 cm3/molecule-sec
      Half-Life =     0.063 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.757 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   443.625000 E-17 cm3/molecule-sec
      Half-Life =     0.003 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Min
   Fraction sorbed to airborne particulates (phi): 0.746 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.184E+006
      Log Koc:  6.074 

 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 = 4.569 (BCF = 3.707e+004)
       log Kow used: 6.84 (estimated)

 Volatilization from Water:
    Henry LC:  4.5E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2410  hours   (100.4 days)
    Half-Life from Model Lake : 2.644E+004  hours   (1102 days)

 Removal In Wastewater Treatment:
    Total removal:              93.76  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.98  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       0.000635        0.0596       1000       
   Water     1.66            1.44e+003    1000       
   Soil      30.9            2.88e+003    1000       
   Sediment  67.5            1.3e+004     0          
     Persistence Time: 4.5e+003 hr

    Click to predict properties on the Chemicalize site


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