ChemSpider 2D Image | Ethoxy(trimethyl)silane | C5H14OSi

Ethoxy(trimethyl)silane

  • Molecular FormulaC5H14OSi
  • Average mass118.250 Da
  • Monoisotopic mass118.081390 Da
  • ChemSpider ID14998

More details:






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

Ethoxy(trimethyl)silane [ACD/IUPAC Name]
1825-62-3 [RN]
217-370-6 [EINECS]
4-04-00-03994 [Beilstein]
82883M7A40
Ethoxy(trimethyl)silan [German] [ACD/IUPAC Name]
Éthoxy(triméthyl)silane [French] [ACD/IUPAC Name]
Ethoxytrimethylsilane
MFCD00009069 [MDL number]
Silane, ethoxytrimethyl- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

254371_ALDRICH [DBID]
BRN 1731950 [DBID]
CT2970 [DBID]
EXP-51 [DBID]
NSC 43345 [DBID]
NSC43345 [DBID]
TL8001467 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      11-36/37/38 Alfa Aesar L10151
      3 Alfa Aesar L10151
      9-16-26-33-37-60 Alfa Aesar L10151
      Danger Alfa Aesar L10151
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar L10151
      FLAMMABLE / IRRITANT Alfa Aesar L10151
      H225-H315-H319-H335 Alfa Aesar L10151
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar L10151
  • Gas Chromatography
    • Retention Index (Kovats):

      504 (estimated with error: 89) NIST Spectra mainlib_238688, replib_150049
    • Retention Index (Normal Alkane):

      608 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 1825623; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      629.3 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 1825623; Active phase: Lucopren G (silicone elastomer); Carrier gas: N2; Substrate: Celite 545 (0.12-0.15 mm); Data type: Normal alkane RI; Authors: Wurst, M.; Churacek, J., Analyse von organosiliciumverbindungen. VI. Retentionsindices der organosiliciumverbindungen bie der gaschromatographie, Collect. Czech. Chem. Commun., 36, 1971, 3497-3506.) NIST Spectra nist ri
    • Retention Index (Linear):

      614 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.53 mm; Column length: 15 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 40 C; End T: 250 C; Start time: 4 min; CAS no: 1825623; Active phase: DB-1; Phase thickness: 1 um; Data type: Linear RI; Authors: Peng, C.T., A method for tentative identificatoin of unknown gas chromatographic peaks by retention index, J. Radioanal. Nucl. Chem., 160(2), 1992, 449-460., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 1825623; Active phase: Methyl Silicone; Data type: Linear RI; Authors: Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 586, 1991, 113-129.) NIST Spectra nist ri
      652 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column length: 3.05 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 40 C; End T: 200 C; End time: 60 min; CAS no: 1825623; Active phase: Carbowax 20M; Data type: Linear RI; Authors: Peng, C.T., A method for tentative identificatoin of unknown gas chromatographic peaks by retention index, J. Radioanal. Nucl. Chem., 160(2), 1992, 449-460., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column length: 3.05 m; Column type: Packed; Heat rate: 8 K/min; Start T: 40 C; End T: 200 C; Start time: 4 min; CAS no: 1825623; Active phase: Carbowax 20M; Substrate: Supelcoport; Data type: Linear RI; Authors: Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 586, 1991, 113-129.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 75.5±0.0 °C at 760 mmHg
Vapour Pressure: 115.1±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.4±3.0 kJ/mol
Flash Point: -18.9±0.0 °C
Index of Refraction: 1.382
Molar Refractivity: 35.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 25.09
ACD/KOC (pH 5.5): 349.44
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.09
ACD/KOC (pH 7.4): 349.44
Polar Surface Area: 9 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 16.8±3.0 dyne/cm
Molar Volume: 153.2±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) =  2.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  71.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -84.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  103  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  76 deg C
    VP  (exp database):  1.15E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1037
       log Kow used: 2.33 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  59501 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.15E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.545E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.33  (KowWin est)
  Log Kaw used:  -0.056  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.386
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6912
   Biowin2 (Non-Linear Model)     :   0.7908
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9378  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6771  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4114
   Biowin6 (MITI Non-Linear Model):   0.4059
 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):  1.53E+004 Pa (115 mm Hg)
  Log Koa (Koawin est  ): 2.386
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.96E-010 
       Octanol/air (Koa) model:  5.97E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.07E-009 
       Mackay model           :  1.57E-008 
       Octanol/air (Koa) model:  4.78E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.6222 E-12 cm3/molecule-sec
      Half-Life =     1.615 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.382 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.14E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  178.2
      Log Koc:  2.251 

 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 = 1.096 (BCF = 12.48)
       log Kow used: 2.33 (estimated)

 Volatilization from Water:
    Henry LC:  0.0215 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.139  hours
    Half-Life from Model Lake :      103.6  hours   (4.317 days)

 Removal In Wastewater Treatment:
    Total removal:              89.37  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.95  percent
    Total to Air:               88.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       28.8            38.8         1000       
   Water     61.4            360          1000       
   Soil      9.44            720          1000       
   Sediment  0.33            3.24e+003    0          
     Persistence Time: 101 hr




                    

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