ChemSpider 2D Image | tetraethoxysilane | C8H20O4Si

tetraethoxysilane

  • Molecular FormulaC8H20O4Si
  • Average mass208.327 Da
  • Monoisotopic mass208.113083 Da
  • ChemSpider ID6270

More details:



Featured data source



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

Orthosilicate de tétraéthyle [French] [ACD/IUPAC Name]
Silicate d'ethyle [French]
Silicic acid (H4SiO4), tetraethyl ester [ACD/Index Name]
Silicon tetraethoxide
tetraethoxysilane
Tetraethyl orthosilicate [ACD/IUPAC Name]
Tetraethylorthosilicat [German] [ACD/IUPAC Name]
tetraethylorthosilicate
Tetraethyl-O-silicate
tetraethyloxysilane
More...

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

131903_ALDRICH [DBID]
333859_ALDRICH [DBID]
86578_FLUKA [DBID]
AI3-15098 [DBID]
BRN 1422225 [DBID]
ES 100 [DBID]
ES 28 [DBID]
HSDB 534 [DBID]
LS-145321 [DBID]
NSC 4790 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless liquid with an alcohol-like odour Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Flammable. Incompatible with strong oxidizing agents,water, alkalies, mineral acids. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 6270 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      10-20-36/37 Alfa Aesar 14082, 22967, 40251, A14965
      2 Alfa Aesar 14082, 22967, 40251, A14965
      3 Alfa Aesar 14082, 22967, 40251, A14965
      DANGER: FLAMMABLE, causes narcosis, irritation Alfa Aesar 14082, 22967, 40251
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar A14965
      Flammable/Harmful/Moisture Sensitive/Store under Argon SynQuest 6183-1-42
      GHS07 Biosynth Q-201810
      H226-H332-H319-H335 Alfa Aesar 14082, 22967, 40251, A14965
      H315; H319; H335 Biosynth Q-201810
      IRRITANT Matrix Scientific 076014
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar 14082, 22967, 40251, A14965
      P261; P280; P302+P352; P304+P340; P305+P351+P338; P312 Biosynth Q-201810
      R10,R20,R36/37/38 SynQuest 6183-1-42
      S9,S16,S23,S24/25,S26,S36/37/39,S38,S45 SynQuest 6183-1-42
      Safety glasses, adequate ventilation. Vapour is much heavierthan air, and precautions should be taken to prevent the vapourflowing to a source of ignition. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Alfa Aesar 14082, 22967, 40251, A14965
      Warning Biosynth Q-201810
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar A14965
  • Gas Chromatography
    • Retention Index (Kovats):

      1030 (estimated with error: 89) NIST Spectra mainlib_9586, replib_158593, replib_233769
      850 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 1 m; Column type: Packed; Start T: 150 C; CAS no: 78104; Active phase: Apiezon L; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
      869 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 1 m; Column type: Packed; Start T: 100 C; CAS no: 78104; Active phase: Apiezon L; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
      847 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; CAS no: 78104; Active phase: Apiezon L; Data type: Kovats RI; Authors: Peetre, I.-B., Gas chromatographic investigation of organometallic compounds and their carbon analogues. II. Improved method for calculating retention indices of tetraalkoxysilanes, J. Chromatogr., 88, 1974, 311-321.) NIST Spectra nist ri
      851.2 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 160 C; CAS no: 78104; Active phase: Apiezon L; Data type: Kovats RI; Authors: Peetre, I.-B., Gas chromatographic investigation of organometallic compounds and their carbon analogues. II. Improved method for calculating retention indices of tetraalkoxysilanes, J. Chromatogr., 88, 1974, 311-321.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      850 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 78104; Active phase: Apieson M; Substrate: Chromosorb G AW DMCS (80-100 mesh); Data type: Normal alkane RI; Authors: Ellren, O.; Peetre, I.B.; Smith, B.E.F., Gas chromatographic investigation of organometallic compounds and their carbon analogues. V. Use of refractive index in conjunction with Kovats retention index for the identification of organosilicon compounds, J. Chromatogr., 93, 1974, 383-392.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 165.5±0.0 °C at 760 mmHg
Vapour Pressure: 2.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±3.0 kJ/mol
Flash Point: 46.7±0.0 °C
Index of Refraction: 1.409
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.05
ACD/KOC (pH 5.5): 218.81
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.05
ACD/KOC (pH 7.4): 218.81
Polar Surface Area: 37 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 23.5±3.0 dyne/cm
Molar Volume: 221.8±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) =  0.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  208.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  5.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.65  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -82.5 deg C
    BP  (exp database):  168.8 deg C
    VP  (exp database):  1.88E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.691e+004
       log Kow used: 0.04 (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 :   1.97E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.225E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.04  (KowWin est)
  Log Kaw used:  -3.094  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.134
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6484
   Biowin2 (Non-Linear Model)     :   0.5126
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7388  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5472  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2917
   Biowin6 (MITI Non-Linear Model):   0.1554
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6218
 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):  251 Pa (1.88 mm Hg)
  Log Koa (Koawin est  ): 3.134
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.2E-008 
       Octanol/air (Koa) model:  3.34E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.32E-007 
       Mackay model           :  9.57E-007 
       Octanol/air (Koa) model:  2.67E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.6936 E-12 cm3/molecule-sec
      Half-Life =     0.433 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.198 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.95E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8766
      Log Koc:  3.943 

 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: 0.04 (estimated)

 Volatilization from Water:
    Henry LC:  1.97E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      44.37  hours   (1.849 days)
    Half-Life from Model Lake :      605.1  hours   (25.21 days)

 Removal In Wastewater Treatment:
    Total removal:               2.92  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                1.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.28            10.4         1000       
   Water     54.5            900          1000       
   Soil      44.1            1.8e+003     1000       
   Sediment  0.106           8.1e+003     0          
     Persistence Time: 472 hr




                    

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