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Search term: MF = 'C_{26}H_{20}O_{2}'
ChemSpider 2D Image | 4-(Trityloxy)benzaldehyde | C26H20O2

4-(Trityloxy)benzaldehyde

  • Molecular FormulaC26H20O2
  • Average mass364.436 Da
  • Monoisotopic mass364.146332 Da
  • ChemSpider ID9676262

More details:

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

4-(Trityloxy)benzaldehyd [German] [ACD/IUPAC Name]
4-(Trityloxy)benzaldehyde [ACD/IUPAC Name]
4-(Trityloxy)benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 4-(triphenylmethoxy)- [ACD/Index Name]
[892112-24-2] [RN]
4-(TRIPHENYLMETHOXY)BENZALDEHYDE
4-trityloxybenzaldehyde
892112-24-2 [RN]
DS-17702
MFCD01593608 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [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: 529.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.4±3.0 kJ/mol
    Flash Point: 220.8±22.3 °C
    Index of Refraction: 1.639
    Molar Refractivity: 112.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 6.71
    ACD/LogD (pH 5.5): 5.89
    ACD/BCF (pH 5.5): 17711.05
    ACD/KOC (pH 5.5): 38236.66
    ACD/LogD (pH 7.4): 5.89
    ACD/BCF (pH 7.4): 17711.05
    ACD/KOC (pH 7.4): 38236.66
    Polar Surface Area: 26 Å2
    Polarizability: 44.6±0.5 10-24cm3
    Surface Tension: 47.5±3.0 dyne/cm
    Molar Volume: 312.8±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) =  6.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  492.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  197.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.6E-010  (Modified Grain method)
    Subcooled liquid VP: 4.36E-008 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):  0.007841
       log Kow used: 6.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0010105 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.18E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.036E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.80  (KowWin est)
  Log Kaw used:  -7.767  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.567
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1909
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2119  (months      )
   Biowin4 (Primary Survey Model) :   3.4569  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4583
   Biowin6 (MITI Non-Linear Model):   0.2231
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3562
 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):  5.81E-006 Pa (4.36E-008 mm Hg)
  Log Koa (Koawin est  ): 14.567
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.516 
       Octanol/air (Koa) model:  90.6 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.949 
       Mackay model           :  0.976 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  36.8467 E-12 cm3/molecule-sec
      Half-Life =     0.290 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.483 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.963 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.354E+006
      Log Koc:  6.132 

 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 = 4.539 (BCF = 3.456e+004)
       log Kow used: 6.80 (estimated)

 Volatilization from Water:
    Henry LC:  4.18E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.674E+006  hours   (1.114E+005 days)
    Half-Life from Model Lake : 2.917E+007  hours   (1.215E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              93.73  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.96  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       0.0172          6.97         1000       
   Water     1.46            1.44e+003    1000       
   Soil      40.4            2.88e+003    1000       
   Sediment  58.1            1.3e+004     0          
     Persistence Time: 5.55e+003 hr

    Click to predict properties on the Chemicalize site


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