Tetramethylsilane C4H12Si structure

Flashcard maker : Judith Simpson

Molecular Formula C4H12Si
Average mass 88.224 Da
Density 0.7┬▒0.1 g/cm3
Boiling Point 26.8┬▒3.0 °C at 760 mmHg
Flash Point -45.6┬▒10.6 °C
Molar Refractivity 29.3┬▒0.3 cm3
Polarizability 11.6┬▒0.5 10-24cm3
Surface Tension 13.7┬▒3.0 dyne/cm
Molar Volume 130.3┬▒3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -100 ┬░C Alfa Aesar
      -99 ┬░C Jean-Claude Bradley Open Melting Point Dataset 21270
      -100 ┬░C Jean-Claude Bradley Open Melting Point Dataset 8499
      -100 ┬░C Alfa Aesar A13148
      0 ┬░C Biosynth Q-101308
      21 ┬░C Biosynth J-503804, J-503969
      121 ┬░C Biosynth J-503804, J-503969
      -99 ┬░C (Literature) LabNetwork LN00193857
    • Experimental Boiling Point:

      26-27 ┬░C Alfa Aesar
      23 ┬░C Oxford University Chemical Safety Data (No longer updated) More details
      26-27 ┬░C Alfa Aesar A13148
      53 ┬░C Biosynth Q-101308
      134.6 ┬░C Biosynth J-503804, J-503969
      292.1 ┬░C Biosynth J-503804, J-503969
      26-28 ┬░C (Literature) LabNetwork LN00193857
    • Experimental Flash Point:

      -27 ┬░C Alfa Aesar
      -28 ┬░C Oxford University Chemical Safety Data (No longer updated) More details
      -27 ┬░C Alfa Aesar
      -27 ┬░F (-32.7778 ┬░C)
      Alfa Aesar A13148
      -27 ┬░C LabNetwork LN00193857
    • Experimental Gravity:

      0.646 g/mL Alfa Aesar A13148
      0.6411 g/mL Fluorochem
      -34 g/mL Biosynth Q-101308
      17.1 g/mL Biosynth J-503804, J-503969
      112.2 g/mL Biosynth J-503804, J-503969
      0.6411 g/l Fluorochem S16225
    • Experimental Refraction Index:

      1.359 Alfa Aesar A13148
  • Miscellaneous
    • Appearance:

      colourless liquid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Highly flammable – readily forms explosive mixtures with air.Note the boiling point close to room temperature, the low flash point and high vapour pressure.Incompatible with oxidizing agents.
      Refrigerate before opening. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      12 Alfa Aesar A13148
      3 Alfa Aesar A13148
      3/7-16-29-33 Alfa Aesar A13148
      Danger Alfa Aesar A13148
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar A13148
      H224 Alfa Aesar A13148
      P210-P280-P240-P303+P361+P353-P403+P235-P501a Alfa Aesar A13148
      Safety glasses, good ventilation. Remove all sources of ignition,including hot plates, from the working area. Oxford University Chemical Safety Data (No longer updated) More details
  • Gas Chromatography
    • Retention Index (Kovats):

      329 (estimated with error: 89) NIST Spectra mainlib_19500, replib_670, replib_149358
      428.1 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 3.3 m; Column type: Packed; Start T: 130 C; CAS no: 75763; Active phase: C78, Branched paraffin; Carrier gas: He; Data type: Kovats RI; Authors: Dallos, A.; Sisak, A.; Kulcsar, Z.; Kovats, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 904, 2000, 211-242.) NIST Spectra nist ri
      428 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 3.3 m; Column type: Packed; Start T: 130 C; CAS no: 75763; Active phase: C78, Branched paraffin; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 609, 1992, 229-259.) NIST Spectra nist ri
      422.4 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 230 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      423.6 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 210 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      424.8 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 190 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      425.9 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 170 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      426.8 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 150 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      427.6 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 130 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      428.4 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 110 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      429 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 90 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      429.4 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 70 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      429.8 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 50 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      430 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 30 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      427.1 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.4 m; Column type: Packed; Start T: 130 C; CAS no: 75763; Active phase: Apolane; Carrier gas: He; Substrate: Chromosorb; Data type: Kovats RI; Authors: Riedo, F.; Fritz, D.; Tarjan, G.; Kovats, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 126, 1976, 63-83.) NIST Spectra nist ri
      420 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Capillary; Start T: 160 C; CAS no: 75763; Active phase: Apiezon L; Data type: Kovats RI; Authors: Peetre, I.-B.; Smith, B.E.F., Gas chromatographic investigation of organometallic compounds and their carbon analogues. IV. determination, calculation and correlation of Kovats retention indices for tetraalkylsilanes, J. Chromatogr., 90, 1974, 41-55.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      428.6 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 75763; Active phase: E-301; Substrate: Silocel C.22 (60-65 mesh); Data type: Normal alkane RI; Authors: Pollard, F.H.; Nickless, G.; Uden, P.C., Chromatographic studies on group IVB elements. Part I. Redistribution reactions of the tetraalkyls, J. Chromatogr., 19, 1965, 28-56.) NIST Spectra nist ri
      433 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 75763; Active phase: E-301; Substrate: Silocel C.22 (60-65 mesh); Data type: Normal alkane RI; Authors: Pollard, F.H.; Nickless, G.; Uden, P.C., Chromatographic studies on group IVB elements. Part I. Redistribution reactions of the tetraalkyls, J. Chromatogr., 19, 1965, 28-56.) NIST Spectra nist ri
      438.1 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 75763; Active phase: E-301; Substrate: Silocel C.22 (60-65 mesh); Data type: Normal alkane RI; Authors: Pollard, F.H.; Nickless, G.; Uden, P.C., Chromatographic studies on group IVB elements. Part I. Redistribution reactions of the tetraalkyls, J. Chromatogr., 19, 1965, 28-56.) NIST Spectra nist ri
      420 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 75763; 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
      435.2 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 75763; 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
      419 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 250 C; CAS no: 75763; Active phase: Squalane; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Szekely, T.; Nefedov, O.M.; Garzo, G.; Shiryayav, V.I.; Fritz, D., Gas chromatographic investigation of the thermal decomposition of polydimethylsilylene, Acta Chim. Acad. Sci. Hung., 54(3-4), 1967, 241-254.) NIST Spectra nist ri

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

Density: 0.7┬▒0.1 g/cm3
Boiling Point: 26.8┬▒3.0 °C at 760 mmHg
Vapour Pressure: 712.8┬▒0.1 mmHg at 25°C
Enthalpy of Vaporization: 26.1┬▒3.0 kJ/mol
Flash Point: -45.6┬▒10.6 °C
Index of Refraction: 1.368
Molar Refractivity: 29.3┬▒0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.13
ACD/KOC (pH 5.5): 1444.08
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.13
ACD/KOC (pH 7.4): 1444.08
Polar Surface Area: 0 Å2
Polarizability: 11.6┬▒0.5 10-24cm3
Surface Tension: 13.7┬▒3.0 dyne/cm
Molar Volume: 130.3┬▒3.0 cm3

Predicted data is generated using the US Environmental Protection AgencyÔÇÖs EPISuite™

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 2.72
 Log Kow (Exper. database match) = 3.24
 Exper. Ref: BioByte (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 18.96 (Adapted Stein & Brown method)
 Melting Pt (deg C): -116.52 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 716 (Mean VP of Antoine & Grain methods)
 MP (exp database): -99 deg C
 BP (exp database): 26.6 deg C
 VP (exp database): 7.18E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 215
 log Kow used: 3.24 (expkow database)
 no-melting pt equation used
 Water Sol (Exper. database match) = 19.6 mg/L (25 deg C)
 Exper. Ref: RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 33.476 mg/L
 Wat Sol (Exper. database match) = 19.60
 Exper. Ref: RIDDICK,JA ET AL. (1986)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.21E-001 atm-m3/mole
 Group Method: Incomplete
 Exper Database: 4.25E+00 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 3.866E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 3.24 (exp database)
 Log Kaw used: 2.240 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 1.000
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7055
 Biowin2 (Non-Linear Model) : 0.8527
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0042 (weeks )
 Biowin4 (Primary Survey Model) : 3.7204 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4513
 Biowin6 (MITI Non-Linear Model): 0.5141
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5178
 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): 9.57E+004 Pa (718 mm Hg)
 Log Koa (Koawin est ): 1.000
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.13E-011 
 Octanol/air (Koa) model: 2.45E-012 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.13E-009 
 Mackay model : 2.51E-009 
 Octanol/air (Koa) model: 1.96E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 0.5984 E-12 cm3/molecule-sec
 Half-Life = 17.874 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.82E-009 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 48.64
 Log Koc: 1.687 

 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 = 1.795 (BCF = 62.34)
 log Kow used: 3.24 (expkow database)

 Volatilization from Water:
 Henry LC: 4.25 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 0.9586 hours (57.52 min)
 Half-Life from Model Lake : 89.22 hours (3.717 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 99.94 percent
 Total biodegradation: 0.03 percent
 Total sludge adsorption: 4.08 percent
 Total to Air: 95.83 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 50.2 257 1000 
 Water 47.8 360 1000 
 Soil 0.782 720 1000 
 Sediment 1.26 3.24e+003 0 
 Persistence Time: 129 hr




 

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