ChemSpider 2D Image | 2-(Trimethylsilyloxy)ethyl methacrylate | C9H18O3Si

2-(Trimethylsilyloxy)ethyl methacrylate

  • Molecular FormulaC9H18O3Si
  • Average mass202.323 Da
  • Monoisotopic mass202.102524 Da
  • ChemSpider ID78561

More details:

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

17407-09-9 [RN]
2-((TRIMETHYLSILYL)OXY)ETHYL 2-METHYL-2-PROPENOATE
2-((Trimethylsilyl)oxy)ethyl methacrylate
2-(Trimethylsilyloxy)ethyl methacrylate
2-[(Trimethylsilyl)oxy]ethyl methacrylate [ACD/IUPAC Name]
2-[(Trimethylsilyl)oxy]ethylmethacrylat [German] [ACD/IUPAC Name]
241-432-1 [EINECS]
2-Propenoic acid, 2-methyl-, 2-[(trimethylsilyl)oxy]ethyl ester [ACD/Index Name]
2-trimethylsilyloxyethyl 2-methylprop-2-enoate
Méthacrylate de 2-[(triméthylsilyl)oxy]éthyle [French] [ACD/IUPAC Name]
More...

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

347485_ALDRICH [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 215.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 76.7±0.0 °C
Index of Refraction: 1.424
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.53
ACD/KOC (pH 5.5): 990.35
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.53
ACD/KOC (pH 7.4): 990.35
Polar Surface Area: 36 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 23.5±3.0 dyne/cm
Molar Volume: 217.6±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) =  2.78

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  204.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -9.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.292  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  181.6
       log Kow used: 2.78 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15959 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 :   4.23E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.281E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.78  (KowWin est)
  Log Kaw used:  -2.762  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.542
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8254
   Biowin2 (Non-Linear Model)     :   0.9854
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8923  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7848  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5668
   Biowin6 (MITI Non-Linear Model):   0.5311
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5946
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  35.7 Pa (0.268 mm Hg)
  Log Koa (Koawin est  ): 5.542
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.4E-008 
       Octanol/air (Koa) model:  8.55E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.03E-006 
       Mackay model           :  6.72E-006 
       Octanol/air (Koa) model:  6.84E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.4207 E-12 cm3/molecule-sec
      Half-Life =     0.390 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.681 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): 4.87E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  258.8
      Log Koc:  2.413 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  7.000E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.138  years  
  Kb Half-Life at pH 7:      31.376  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.437 (BCF = 27.35)
       log Kow used: 2.78 (estimated)

 Volatilization from Water:
    Henry LC:  4.23E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      21.14  hours
    Half-Life from Model Lake :      349.9  hours   (14.58 days)

 Removal In Wastewater Treatment:
    Total removal:               6.32  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.03  percent
    Total to Air:                2.18  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.786           6.75         1000       
   Water     24.5            360          1000       
   Soil      74.5            720          1000       
   Sediment  0.274           3.24e+003    0          
     Persistence Time: 431 hr

Click to predict properties on the Chemicalize site


Advertisement