Found 1 result

Search term: XWUNIDGEMNBBAQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Bisphenol A ethoxylate diacrylate | C25H28O6

Bisphenol A ethoxylate diacrylate

  • Molecular FormulaC25H28O6
  • Average mass424.486 Da
  • Monoisotopic mass424.188599 Da
  • ChemSpider ID81713

More details:






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

2,2-Propandiylbis(4,1-phenylenoxy-2,1-ethandiyl)-bisacrylat [German] [ACD/IUPAC Name]
2,2-Propanediylbis(4,1-phenyleneoxy-2,1-ethanediyl) bisacrylate [ACD/IUPAC Name]
24447-78-7 [RN]
246-253-2 [EINECS]
2-Propenoic acid, (1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl) ester [ACD/Index Name]
64401-02-1 [RN]
Bisacrylate de 2,2-propanediylbis(4,1-phénylèneoxy-2,1-éthanediyle) [French] [ACD/IUPAC Name]
Bisphenol A bis(2-hydroxyethyl ether) diacrylate
Bisphenol A ethoxylate diacrylate
Ethoxylated bisphenol A diacrylate
More...

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

C15209 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 237.4±30.2 °C
Index of Refraction: 1.533
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11148.38
ACD/KOC (pH 5.5): 27452.56
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11148.38
ACD/KOC (pH 7.4): 27452.56
Polar Surface Area: 71 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 379.9±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) =  5.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  467.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  166.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.09E-009  (Modified Grain method)
    Subcooled liquid VP: 1.77E-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):  0.04019
       log Kow used: 5.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0033333 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.22E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.464E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.54  (KowWin est)
  Log Kaw used:  -9.474  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.014
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9737
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2131  (months      )
   Biowin4 (Primary Survey Model) :   3.6940  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8962
   Biowin6 (MITI Non-Linear Model):   0.7496
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0582
 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):  2.36E-005 Pa (1.77E-007 mm Hg)
  Log Koa (Koawin est  ): 15.014
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.127 
       Octanol/air (Koa) model:  254 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.821 
       Mackay model           :  0.91 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  88.0317 E-12 cm3/molecule-sec
      Half-Life =     0.122 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.458 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.350000 E-17 cm3/molecule-sec
      Half-Life =     3.274 Days (at 7E11 mol/cm3)
      Half-Life =     78.583 Hrs
   Fraction sorbed to airborne particulates (phi): 0.866 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.184E+004
      Log Koc:  4.622 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.063E-001  L/mol-sec
  Kb Half-Life at pH 8:      75.466  days   
  Kb Half-Life at pH 7:       2.066  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.564 (BCF = 3667)
       log Kow used: 5.54 (estimated)

 Volatilization from Water:
    Henry LC:  8.22E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.468E+008  hours   (6.115E+006 days)
    Half-Life from Model Lake : 1.601E+009  hours   (6.67E+007 days)

 Removal In Wastewater Treatment:
    Total removal:              88.76  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    88.02  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       0.000175        2.81         1000       
   Water     3.89            1.44e+003    1000       
   Soil      60.1            2.88e+003    1000       
   Sediment  36              1.3e+004     0          
     Persistence Time: 4.36e+003 hr




                    

Click to predict properties on the Chemicalize site






Advertisement