Found 24 results

Search term: MF = 'C_{11}H_{26}O_{3}Si_{2}'
ChemSpider 2D Image | Trimethylsilyl 2-methyl-2-[(trimethylsilyl)oxy]butanoate | C11H26O3Si2

Trimethylsilyl 2-methyl-2-[(trimethylsilyl)oxy]butanoate

  • Molecular FormulaC11H26O3Si2
  • Average mass262.493 Da
  • Monoisotopic mass262.142059 Da
  • ChemSpider ID480997

More details:

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

2-Méthyl-2-[(triméthylsilyl)oxy]butanoate de triméthylsilyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester [ACD/Index Name]
Trimethylsilyl 2-methyl-2-[(trimethylsilyl)oxy]butanoate [ACD/IUPAC Name]
Trimethylsilyl-2-methyl-2-[(trimethylsilyl)oxy]butanoat [German] [ACD/IUPAC Name]
2-Methyl-2-trimethylsiloxy(trimethylsilyl)butyrate
55557-18-1 [RN]

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

  • Gas Chromatography

    • Retention Index (Kovats):

      1093 (estimated with error: 89) NIST Spectra mainlib_23905

    • Retention Index (Linear):

      1170 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 55557181; Active phase: DB-1; Carrier gas: He; Data type: Linear RI; Authors: Tsai, M.Y.; Oliphant, C.; Josephson, M.W., Identification of Metabolites Diagnostic for Organic Acidurias by Simultaneous Dual-Column Capillary Gas Chromatography, J. Chromatogr., 341, 1985, 1-10.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 229.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 77.0±18.2 °C
Index of Refraction: 1.421
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 486.48
ACD/KOC (pH 5.5): 2917.47
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 486.48
ACD/KOC (pH 7.4): 2917.47
Polar Surface Area: 36 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 21.5±3.0 dyne/cm
Molar Volume: 291.5±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) =  4.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  223.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  10.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.112  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.786
       log Kow used: 4.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6825.8 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.20E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.389E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.52  (KowWin est)
  Log Kaw used:  -0.309  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.829
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4386
   Biowin2 (Non-Linear Model)     :   0.0800
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4070  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3156  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0515
   Biowin6 (MITI Non-Linear Model):   0.0168
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1087
 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):  13.9 Pa (0.104 mm Hg)
  Log Koa (Koawin est  ): 4.829
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.16E-007 
       Octanol/air (Koa) model:  1.66E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.81E-006 
       Mackay model           :  1.73E-005 
       Octanol/air (Koa) model:  1.32E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.8099 E-12 cm3/molecule-sec
      Half-Life =     2.224 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.685 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.26E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1230
      Log Koc:  3.090 

 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 = 2.780 (BCF = 602)
       log Kow used: 4.52 (estimated)

 Volatilization from Water:
    Henry LC:  0.012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.732  hours
    Half-Life from Model Lake :      154.8  hours   (6.448 days)

 Removal In Wastewater Treatment:
    Total removal:              88.42  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    40.08  percent
    Total to Air:               48.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.39            53.4         1000       
   Water     9.95            900          1000       
   Soil      78.8            1.8e+003     1000       
   Sediment  7.81            8.1e+003     0          
     Persistence Time: 790 hr

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