ChemSpider 2D Image | [(1-Ethoxyvinyl)oxy](dimethyl)(2-methyl-2-propanyl)silane | C10H22O2Si

[(1-Ethoxyvinyl)oxy](dimethyl)(2-methyl-2-propanyl)silane

  • Molecular FormulaC10H22O2Si
  • Average mass202.366 Da
  • Monoisotopic mass202.138901 Da
  • ChemSpider ID9313273

More details:

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

[(1-Ethoxyvinyl)oxy](dimethyl)(2-methyl-2-propanyl)silan [German] [ACD/IUPAC Name]
[(1-Ethoxyvinyl)oxy](dimethyl)(2-methyl-2-propanyl)silane [ACD/IUPAC Name]
[(1-Éthoxyvinyl)oxy](diméthyl)(2-méthyl-2-propanyl)silane [French] [ACD/IUPAC Name]
Silane, (1,1-dimethylethyl)[(1-ethoxyethenyl)oxy]dimethyl- [ACD/Index Name]
42201-84-3 [RN]
O-ethyl-O-tert-butyldimethylsilyl ketene acetal
T-Butyl(1-Ethoxyvinyloxy)Dimethylsilane

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

Density: 0.9±0.1 g/cm3
Boiling Point: 191.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 56.4±23.0 °C
Index of Refraction: 1.421
Molar Refractivity: 60.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.35
ACD/KOC (pH 5.5): 1905.77
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.35
ACD/KOC (pH 7.4): 1905.77
Polar Surface Area: 18 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 21.2±3.0 dyne/cm
Molar Volume: 237.0±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) =  3.34

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  179.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -20.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.986  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  59.74
       log Kow used: 3.34 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16561 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.10E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.395E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.34  (KowWin est)
  Log Kaw used:  0.103  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.237
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1199
   Biowin2 (Non-Linear Model)     :   0.0066
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5312  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3926  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2434
   Biowin6 (MITI Non-Linear Model):   0.0815
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3539
 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):  119 Pa (0.896 mm Hg)
  Log Koa (Koawin est  ): 3.237
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.51E-008 
       Octanol/air (Koa) model:  4.24E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.07E-007 
       Mackay model           :  2.01E-006 
       Octanol/air (Koa) model:  3.39E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.7944 E-12 cm3/molecule-sec
      Half-Life =     0.145 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.739 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.875000 E-17 cm3/molecule-sec
      Half-Life =     1.310 Days (at 7E11 mol/cm3)
      Half-Life =     31.433 Hrs
   Fraction sorbed to airborne particulates (phi): 1.46E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  246.8
      Log Koc:  2.392 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.872 (BCF = 74.48)
       log Kow used: 3.34 (estimated)

 Volatilization from Water:
    Henry LC:  0.031 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.479  hours
    Half-Life from Model Lake :      135.4  hours   (5.642 days)

 Removal In Wastewater Treatment:
    Total removal:              92.61  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     5.38  percent
    Total to Air:               87.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.58            3.13         1000       
   Water     55.9            900          1000       
   Soil      38.8            1.8e+003     1000       
   Sediment  2.78            8.1e+003     0          
     Persistence Time: 141 hr

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