ChemSpider 2D Image | Methacryloxymethyltriethoxysilane | C11H22O5Si

Methacryloxymethyltriethoxysilane

  • Molecular FormulaC11H22O5Si
  • Average mass262.375 Da
  • Monoisotopic mass262.123657 Da
  • ChemSpider ID10626831

More details:

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

(Triethoxysilyl)methyl methacrylate [ACD/IUPAC Name]
(Triethoxysilyl)methylmethacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, (triethoxysilyl)methyl ester [ACD/Index Name]
5577-72-0 [RN]
Méthacrylate de (triéthoxysilyl)méthyle [French] [ACD/IUPAC Name]
Methacryloxymethyltriethoxysilane
Methacryloyloxymethyltriethoxysilane
(methacryloxymethyl)triethoxysilane
(Triethoxysilyl)methyl 2-methylprop-2-enoate
(Triethoxysilyl)methyl-2-methylacrylat
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 255.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.3±3.0 kJ/mol
    Flash Point: 90.0±18.2 °C
    Index of Refraction: 1.432
    Molar Refractivity: 68.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 17.17
    ACD/KOC (pH 5.5): 266.42
    ACD/LogD (pH 7.4): 1.93
    ACD/BCF (pH 7.4): 17.17
    ACD/KOC (pH 7.4): 266.42
    Polar Surface Area: 54 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 26.6±3.0 dyne/cm
    Molar Volume: 263.3±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) =  1.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  277.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  44.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00429  (Modified Grain method)
    Subcooled liquid VP: 0.00653 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):  1747
       log Kow used: 1.24 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.1808e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.99E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.478E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.24  (KowWin est)
  Log Kaw used:  -4.787  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.027
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7968
   Biowin2 (Non-Linear Model)     :   0.9665
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7596  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6981  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4870
   Biowin6 (MITI Non-Linear Model):   0.3208
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6466
 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):  0.871 Pa (0.00653 mm Hg)
  Log Koa (Koawin est  ): 6.027
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.45E-006 
       Octanol/air (Koa) model:  2.61E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000124 
       Mackay model           :  0.000276 
       Octanol/air (Koa) model:  2.09E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  38.2900 E-12 cm3/molecule-sec
      Half-Life =     0.279 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.352 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 0.0002 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3743
      Log Koc:  3.573 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.214E-003  L/mol-sec
  Kb Half-Life at pH 8:       6.834  years  
  Kb Half-Life at pH 7:      68.343  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.258 (BCF = 1.812)
       log Kow used: 1.24 (estimated)

 Volatilization from Water:
    Henry LC:  3.99E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2379  hours   (99.11 days)
    Half-Life from Model Lake : 2.608E+004  hours   (1087 days)

 Removal In Wastewater Treatment:
    Total removal:               1.94  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.634           5.25         1000       
   Water     41.1            360          1000       
   Soil      58.2            720          1000       
   Sediment  0.0875          3.24e+003    0          
     Persistence Time: 376 hr

    Click to predict properties on the Chemicalize site


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