ChemSpider 2D Image | 2,2-Propanediylbis(4,1-phenyleneoxy-1,2-propanediyl) bis(2-methylacrylate) | C29H36O6

2,2-Propanediylbis(4,1-phenyleneoxy-1,2-propanediyl) bis(2-methylacrylate)

  • Molecular FormulaC29H36O6
  • Average mass480.592 Da
  • Monoisotopic mass480.251190 Da
  • ChemSpider ID82336

More details:

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

(1-Methylethylidene)Bis(4,1-Phenyleneoxy(1-Methyl-2,1- Ethanediyl))Bismethacrylate
2,2-Propandiylbis(4,1-phenylenoxy-1,2-propandiyl)-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
2,2-Propanediylbis(4,1-phenyleneoxy-1,2-propanediyl) bis(2-methylacrylate) [ACD/IUPAC Name]
24447-72-1 [RN]
246-252-7 [EINECS]
2-Propenoic acid, 2-methyl-, (1-methylethylidene)bis(4,1-phenyleneoxy-1-methyl-2,1-ethanediyl) ester [ACD/Index Name]
Bis(2-méthylacrylate) de 2,2-propanediylbis(4,1-phénylèneoxy-1,2-propanediyle) [French] [ACD/IUPAC Name]
Propane-2,2-diylbis(4,1-phenyleneoxypropane-1,2-diyl) bis(2-methylacrylate)
(1-methylethylidene)bis[4,1-phenyleneoxy(1-methyl-2,1-ethanediyl)] bismethacrylate

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


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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 246.8±30.2 °C
Index of Refraction: 1.521
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.69
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 91373.29
ACD/KOC (pH 5.5): 123746.69
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 91373.29
ACD/KOC (pH 7.4): 123746.69
Polar Surface Area: 71 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 446.3±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) =  7.47

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  493.94  (Adapted Stein & Brown method)
    Melting Pt (deg C):  168.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.3E-009  (Modified Grain method)
    Subcooled liquid VP: 3.91E-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):  0.0003995
       log Kow used: 7.47 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00020356 mg/L

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

 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]:  2.058E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.47  (KowWin est)
  Log Kaw used:  -8.837  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.307
      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)    :   0.5183
   Biowin6 (MITI Non-Linear Model):   0.1735
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6131
 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):  5.21E-006 Pa (3.91E-008 mm Hg)
  Log Koa (Koawin est  ): 16.307
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.575 
       Octanol/air (Koa) model:  4.98E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.954 
       Mackay model           :  0.979 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 110.1678 E-12 cm3/molecule-sec
      Half-Life =     0.097 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.165 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): 0.966 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.733E+005
      Log Koc:  5.437 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  4.831E-003  L/mol-sec
  Kb Half-Life at pH 8:       4.546  years  
  Kb Half-Life at pH 7:      45.463  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 4.169 (BCF = 1.476e+004)
       log Kow used: 7.47 (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:              93.97  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.19  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       0.00193         1.95         1000       
   Water     1.22            1.44e+003    1000       
   Soil      41.2            2.88e+003    1000       
   Sediment  57.6            1.3e+004     0          
     Persistence Time: 6e+003 hr


Click to predict properties on the Chemicalize site