ChemSpider 2D Image | Bisphenol A bis(3-methacryloyloxypropyl) ether | C29H36O6

Bisphenol A bis(3-methacryloyloxypropyl) ether

  • Molecular FormulaC29H36O6
  • Average mass480.592 Da
  • Monoisotopic mass480.251190 Da
  • ChemSpider ID85178

More details:

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

Bisphenol A propoxy methacrylate
2,2-Propandiylbis(4,1-phenylenoxy-3,1-propandiyl)-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
2,2-Propanediylbis(4,1-phenyleneoxy-3,1-propanediyl) bis(2-methylacrylate) [ACD/IUPAC Name]
27689-12-9 [RN]
2-Propenoic acid, 2-methyl-, (1-methylethylidene)bis(4,1-phenyleneoxy-3,1-propanediyl) ester [ACD/Index Name]
Bis(2-méthylacrylate) de 2,2-propanediylbis(4,1-phénylèneoxy-3,1-propanediyle) [French] [ACD/IUPAC Name]
Bisphenol A bis(3-methacryloyloxypropyl) ether
(1-methylethylidene)bis(4,1-phenyleneoxy-3,1-propanediyl) bismethacrylate
248-607-1 [EINECS]
3-{4-[2-(4-{3-[(2-METHYLPROP-2-ENOYL)OXY]PROPOXY}PHENYL)PROPAN-2-YL]PHENOXY}PROPYL 2-METHYLPROP-2-ENOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 603.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 253.9±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 96736.30
ACD/KOC (pH 5.5): 128903.23
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 96736.30
ACD/KOC (pH 7.4): 128903.23
Polar Surface Area: 71 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 445.5±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) =  7.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  507.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  187.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.48E-010  (Modified Grain method)
    Subcooled liquid VP: 1.73E-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):  0.0002992
       log Kow used: 7.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.2478e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.56E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.355E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.61  (KowWin est)
  Log Kaw used:  -8.837  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.447
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9470
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0892  (months      )
   Biowin4 (Primary Survey Model) :   3.6131  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8165
   Biowin6 (MITI Non-Linear Model):   0.5788
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0183
 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):  2.31E-006 Pa (1.73E-008 mm Hg)
  Log Koa (Koawin est  ): 16.447
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.3 
       Octanol/air (Koa) model:  6.87E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.979 
       Mackay model           :  0.99 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 113.9154 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.127 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.275000 E-17 cm3/molecule-sec
      Half-Life =     0.504 Days (at 7E11 mol/cm3)
      Half-Life =     12.090 Hrs
   Fraction sorbed to airborne particulates (phi): 0.985 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.545E+005
      Log Koc:  5.550 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.454E-003  L/mol-sec
  Kb Half-Life at pH 8:       4.027  years  
  Kb Half-Life at pH 7:      40.268  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.968 (BCF = 9284)
       log Kow used: 7.61 (estimated)

 Volatilization from Water:
    Henry LC:  3.56E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.605E+007  hours   (1.502E+006 days)
    Half-Life from Model Lake : 3.933E+008  hours   (1.639E+007 days)

 Removal In Wastewater Treatment:
    Total removal:              93.99  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.21  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       0.00395         1.9          1000       
   Water     1.24            1.44e+003    1000       
   Soil      39.8            2.88e+003    1000       
   Sediment  59              1.3e+004     0          
     Persistence Time: 5.81e+003 hr

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