ChemSpider 2D Image | Ethyltrimethoxysilane | C5H14O3Si

Ethyltrimethoxysilane

  • Molecular FormulaC5H14O3Si
  • Average mass150.248 Da
  • Monoisotopic mass150.071213 Da
  • ChemSpider ID71529

More details:

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

226-172-9 [EINECS]
5314-55-6 [RN]
Dow Corning(R) product 1-6321
Ethyl(trimethoxy)silan [German] [ACD/IUPAC Name]
Ethyl(trimethoxy)silane [ACD/IUPAC Name]
Éthyl(triméthoxy)silane [French] [ACD/IUPAC Name]
Ethyltrimethoxysilane
MFCD00051541 [MDL number]
Silane, ethyltrimethoxy- [ACD/Index Name]
97%
More...

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

435643_ALDRICH [DBID]
Dow Corning product 1-6321 [DBID]
PubChem Substance ID 24867246 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      10-36/37/38 Alfa Aesar B22752
      26-37 Alfa Aesar B22752
      3 Alfa Aesar B22752
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar B22752
      H226-H315-H319-H335 Alfa Aesar B22752
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar B22752
      Warning Alfa Aesar B22752
  • Gas Chromatography

    • Retention Index (Kovats):

      656 (estimated with error: 89) NIST Spectra mainlib_73334, replib_102732
      723 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 3 m; Column type: Packed; Start T: 160 C; CAS no: 5314556; Active phase: Apiezon M; Substrate: Chromosorb G; Data type: Kovats RI; Authors: Peetre, I.-B.; Ellren, O.; Smith, B.E.F., Gas chromatographic investigation of organometallic compounds and their carbon analogues. VI. Determination, calculation and correlation of Kovats retention indices for alkylalkoxysilanes, J. Chromatogr., 318, 1985, 41-55.) 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: 124.3±0.0 °C at 760 mmHg
Vapour Pressure: 15.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.7±3.0 kJ/mol
Flash Point: 24.2±21.3 °C
Index of Refraction: 1.388
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 44.62
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 44.62
Polar Surface Area: 28 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 19.6±3.0 dyne/cm
Molar Volume: 165.9±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) =  -0.18

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  122.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -47.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  12.9  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  124.3 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.079e+005
       log Kow used: -0.18 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.15E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.364E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.18  (KowWin est)
  Log Kaw used:  -2.328  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.148
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6760
   Biowin2 (Non-Linear Model)     :   0.7058
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8671  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6310  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3162
   Biowin6 (MITI Non-Linear Model):   0.2134
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5438
 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):  1.6E+003 Pa (12 mm Hg)
  Log Koa (Koawin est  ): 2.148
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.87E-009 
       Octanol/air (Koa) model:  3.45E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.77E-008 
       Mackay model           :  1.5E-007 
       Octanol/air (Koa) model:  2.76E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.6835 E-12 cm3/molecule-sec
      Half-Life =     2.904 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    34.845 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.09E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  757.6
      Log Koc:  2.879 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -0.18 (estimated)

 Volatilization from Water:
    Henry LC:  0.000115 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      7.491  hours
    Half-Life from Model Lake :      184.5  hours   (7.688 days)

 Removal In Wastewater Treatment:
    Total removal:               7.29  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.67  percent
    Total to Air:                5.52  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.1            69.7         1000       
   Water     47.4            360          1000       
   Soil      40.4            720          1000       
   Sediment  0.0872          3.24e+003    0          
     Persistence Time: 239 hr

Click to predict properties on the Chemicalize site


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