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Search term: MF = 'C_{32}H_{30}O_{4}'
ChemSpider 2D Image | Diphenyl 2,3-diethyl-2,3-diphenylsuccinate | C32H30O4

Diphenyl 2,3-diethyl-2,3-diphenylsuccinate

  • Molecular FormulaC32H30O4
  • Average mass478.578 Da
  • Monoisotopic mass478.214417 Da
  • ChemSpider ID2032871

More details:

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

2,3-Diéthyl-2,3-diphénylsuccinate de diphényle [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-diethyl-2,3-diphenyl-, diphenyl ester [ACD/Index Name]
Diphenyl 2,3-diethyl-2,3-diphenylsuccinate [ACD/IUPAC Name]
Diphenyl-2,3-diethyl-2,3-diphenylsuccinat [German] [ACD/IUPAC Name]
681474-32-8 [RN]
AC1MBJKS
AGN-PC-0KKIAQ
AKOS004901371
diphenyl 2,3-diethyl-2,3-diphenylbutanedioate
diphenyl 2,3-diethyl-2,3-diphenylsuccinate (en)
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 616.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.4±3.0 kJ/mol
    Flash Point: 308.7±29.9 °C
    Index of Refraction: 1.589
    Molar Refractivity: 139.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 8.72
    ACD/LogD (pH 5.5): 7.76
    ACD/BCF (pH 5.5): 465204.13
    ACD/KOC (pH 5.5): 396708.19
    ACD/LogD (pH 7.4): 7.76
    ACD/BCF (pH 7.4): 465204.13
    ACD/KOC (pH 7.4): 396708.19
    Polar Surface Area: 53 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 44.7±3.0 dyne/cm
    Molar Volume: 414.7±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) =  8.00

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  544.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  223.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.55E-011  (Modified Grain method)
    Subcooled liquid VP: 2.06E-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):  0.0001456
       log Kow used: 8.00 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.1493e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.53E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.704E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.00  (KowWin est)
  Log Kaw used:  -7.204  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.204
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0126
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0858  (months      )
   Biowin4 (Primary Survey Model) :   3.3278  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3750
   Biowin6 (MITI Non-Linear Model):   0.0911
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6317
 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):  2.75E-007 Pa (2.06E-009 mm Hg)
  Log Koa (Koawin est  ): 15.204
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  10.9 
       Octanol/air (Koa) model:  393 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.997 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.2456 E-12 cm3/molecule-sec
      Half-Life =     0.702 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.419 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.254E+007
      Log Koc:  7.353 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.793E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.791  years  
  Kb Half-Life at pH 7:      37.911  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.445 (BCF = 2789)
       log Kow used: 8.00 (estimated)

 Volatilization from Water:
    Henry LC:  1.53E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.372E+005  hours   (3.488E+004 days)
    Half-Life from Model Lake : 9.133E+006  hours   (3.805E+005 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       0.0755          16.8         1000       
   Water     1.3             1.44e+003    1000       
   Soil      35.4            2.88e+003    1000       
   Sediment  63.2            1.3e+004     0          
     Persistence Time: 5.28e+003 hr

    Click to predict properties on the Chemicalize site


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