(Trimethylsilyl)acetylene

• Formula: C₅H₁₀Si
• Molecular weight: 98.2184
• IUPAC Standard InChI: InChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3 Copy

  
• IUPAC Standard InChIKey: CWMFRHBXRUITQE-UHFFFAOYSA-N Copy
• CAS Registry Number: 1066-54-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • Ethyne, 1-trimethylsilyl-
• Other names: Ethynyltrimethylsilane; Silane, ethynyltrimethyl-; Acetylene, trimethylsilyl-; Silane, trimethyl-, ethynyl-; (Trimethylsilyl)ethyne; 1-(Trimethylsilyl)acetylene; 1-Trimethylsilylethyne; Trimethylethynylsilane; Ethyne,-trimethylsilyl
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Robert L. Brown and Stephen E. Stein

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, temperature ramp

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Matsumoto, Akaiwa, et al., 1986
Matsumoto, H.; Akaiwa, K.; Nagai, Y.; Ohno, K.; Imai, K.; Masuda, S.; Harada, Y., Analysis of stereochemical properties of molecular orbitals of (trimethylsilyl)acetylenes by penning ionization electron spectroscopy, Organometallics, 1986, 5, 1526. [all data]

MacLean and Sacher, 1974
MacLean, D.I.; Sacher, R.E., A study of some spectroscopic properties of Group IVA acetylides, J. Organomet. Chem., 1974, 74, 197. [all data]

Bieri, Brogli, et al., 1973
Bieri, G.; Brogli, F.; Heilbronner, E.; Kloster-Jensen, E., A photoelectron spectroscopic investigation of the electronic structure of trimethylsilylhaloacetylenes, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 67. [all data]

Bock and Seidl, 1968
Bock, H.; Seidl, H., d-Orbital effects in siliconsubstituted π-electron systems. Part XII. Some spectroscopic properties of alkyl and silyl acetylenes and polyacetylenes, J. Chem. Soc. B, 1968, 1158. [all data]

Takhistov, Khlebnikova, et al., 1980
Takhistov, V.; Khlebnikova, N.; Orlov, V., Photoionization study of energetic properties of cations formed with fragmentation of substituted acetylenes containing elements of IV B group, Org. React. Tartu, 1980, 17, 449. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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