ChemSpider 2D Image | Triethylsilane | C6H16Si

Triethylsilane

  • Molecular FormulaC6H16Si
  • Average mass116.277 Da
  • Monoisotopic mass116.102127 Da
  • ChemSpider ID11555

More details:



Featured data source



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

0F9429873L
210-535-3 [EINECS]
617-86-7 [RN]
Silane, triethyl- [ACD/Index Name]
Triethylsilan [German] [ACD/IUPAC Name]
Triethylsilane [ACD/IUPAC Name] [Wiki]
Triéthylsilane [French] [ACD/IUPAC Name]
Triethylsilyl hydride
UNII:0F9429873L
(C2H5)3SiH
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless liquid Oxford University Chemical Safety Data (No longer updated) More details
      Not Available Novochemy [NC-46303]
    • Stability:

      Stable, but moisture sensitive. Highly flammable. Generates highly flammable gas (hydrogen)in contact with water, acids and bases. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      11-36/37/38 Alfa Aesar A10320
      20/21/22 Novochemy [NC-46303]
      20/21/36/37/39 Novochemy [NC-46303]
      3 Alfa Aesar A10320
      9-16-26-33-37-60 Alfa Aesar A10320
      Danger Alfa Aesar A10320
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar A10320
      GHS07; GHS09 Novochemy [NC-46303]
      H225-H315-H319-H335 Alfa Aesar A10320
      H332; H403 Novochemy [NC-46303]
      Irritant/flammable/do not add water SynQuest 5180-1-02, 75264
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-46303]
      P210-P241-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar A10320
      R18,R36/37/38 SynQuest 5180-1-02, 75264
      S23,S30,S36/37/39 SynQuest 5180-1-02, 75264
      Safety glasses, good ventilation. Remove allsources of ignition from the working area. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Novochemy [NC-46303]
      Xn Novochemy [NC-46303]
  • Gas Chromatography
    • Retention Index (Kovats):

      671 (estimated with error: 89) NIST Spectra mainlib_189996, replib_1907, replib_161402, replib_236227
      743.7 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 50 C; CAS no: 617867; Active phase: Polymethylsiloxane, (PMS-20000); Carrier gas: He; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Ainshtein, A.A.; Shulyatieva, T.I., Retention indices of alkyl- and arylchlorosilanes, Zh. Anal. Khim., 27, 1972, 816-821.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      737 (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: 617867; 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
      744 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 617867; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Kuznetsova, L.M., Logic Criteria on Prediction of Gas Chromatographic Retention Indices from Physico-Chemical Properties of Organic Compounds, Dokl. Akad. Nauk SSSR, 315(4), 1990, 881-885, In original 881-885.) NIST Spectra nist ri

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

Density:
Boiling Point: 107.5±0.0 °C at 760 mmHg
Vapour Pressure: 31.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 33.2±3.0 kJ/mol
Flash Point: -3.9±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.11
ACD/KOC (pH 5.5): 2079.36
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 303.11
ACD/KOC (pH 7.4): 2079.36
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.36

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -51.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.52E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.3809
       log Kow used: 6.36 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00041677 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.053E+002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4114
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6695  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.7593  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7719
   Biowin6 (MITI Non-Linear Model):   0.8267
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1693
 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):  8.12E+005 Pa (6.09E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.69E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.33E-010 
       Mackay model           :  2.96E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.15E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  252.8
      Log Koc:  2.403 

 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 = 4.200 (BCF = 1.584e+004)
       log Kow used: 6.36 (estimated)

 Volatilization from Water:
    Henry LC:  305 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:        1.1  hours
    Half-Life from Model Lake :      102.4  hours   (4.268 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    59.24  percent
    Total to Air:               40.58  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.78            1e+005       1000       
   Water     1.99            4.32e+003    1000       
   Soil      0.0288          8.64e+003    1000       
   Sediment  96.2            3.89e+004    0          
     Persistence Time: 4.2e+003 hr




                    

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