ChemSpider 2D Image | MFCD00008585 | C23H24O4

MFCD00008585

  • Molecular FormulaC23H24O4
  • Average mass364.434 Da
  • Monoisotopic mass364.167450 Da
  • ChemSpider ID69197

More details:

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

2,2-Propandiyldi-4,1-phenylen-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
2,2-Propanediyldi-4,1-phenylene bis(2-methylacrylate) [ACD/IUPAC Name]
221-846-9 [EINECS]
2-Propenoic acid, 2-methyl-, (1-methylethylidene)di-4,1-phenylene ester [ACD/Index Name]
3253-39-2 [RN]
4,4'-Isopropylidenediphenol Dimethacrylate
Bis(2-méthylacrylate) de 2,2-propanediyldi-4,1-phénylène [French] [ACD/IUPAC Name]
bisphenol A dimethacrylate
MFCD00008585
Propane-2,2-diyldi-4,1-phenylene bis(2-methylacrylate)
More...

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

982O8255NE [DBID]
156329_ALDRICH [DBID]
C14345 [DBID]
UNII:982O8255NE [DBID]
UNII-982O8255NE [DBID]
ZINC02166863 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 497.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 246.4±24.4 °C
Index of Refraction: 1.540
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6881.80
ACD/KOC (pH 5.5): 19436.50
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6881.80
ACD/KOC (pH 7.4): 19436.50
Polar Surface Area: 53 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 333.8±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) =  5.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  414.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  91.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.54E-007  (Modified Grain method)
    Subcooled liquid VP: 3.75E-006 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):  0.08341
       log Kow used: 5.60 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.036832 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.36E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.910E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.60  (KowWin est)
  Log Kaw used:  -5.466  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.066
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7385
   Biowin2 (Non-Linear Model)     :   0.9862
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4621  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6264  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4751
   Biowin6 (MITI Non-Linear Model):   0.1749
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5303
 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):  0.0005 Pa (3.75E-006 mm Hg)
  Log Koa (Koawin est  ): 11.066
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.006 
       Octanol/air (Koa) model:  0.0286 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.178 
       Mackay model           :  0.324 
       Octanol/air (Koa) model:  0.696 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  42.8972 E-12 cm3/molecule-sec
      Half-Life =     0.249 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.992 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): 0.251 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.117E+004
      Log Koc:  4.709 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.517E-002  L/mol-sec
  Kb Half-Life at pH 8:     145.396  days   
  Kb Half-Life at pH 7:       3.981  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.613 (BCF = 4100)
       log Kow used: 5.60 (estimated)

 Volatilization from Water:
    Henry LC:  8.36E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.337E+004  hours   (557.2 days)
    Half-Life from Model Lake :  1.46E+005  hours   (6085 days)

 Removal In Wastewater Treatment:
    Total removal:              89.42  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    88.67  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       0.0734          4            1000       
   Water     6.18            900          1000       
   Soil      46.1            1.8e+003     1000       
   Sediment  47.6            8.1e+003     0          
     Persistence Time: 2.12e+003 hr

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