2-Butanethiol, 2-methyl-

• Formula: C₅H₁₂S
• Molecular weight: 104.214
• IUPAC Standard InChI: InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: IQIBYAHJXQVQGB-UHFFFAOYSA-N Copy
• CAS Registry Number: 1679-09-0
• 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.
• Other names: tert-Amyl mercaptan; tert-Pentyl mercaptan; 2-Methybutane-2-thiol; 2-Methyl-2-butanethiol; 2-tert-Pentyl mercaptan; 1,1-Dimethyl-1-propanethiol; 1,1-diMethyl-1-Propylthiol; 2-Methylbutan-2-thiol; 2-methylbutane-2-thiol
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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Gas phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, custom temperature program

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Kovats' RI, polar column, custom temperature program

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Normal alkane RI, non-polar column, isothermal

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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.

Scott, Douslin, et al., 1962
Scott, D.W.; Douslin, D.R.; Finke, H.L.; Hubbard, W.N.; Messerly, J.F.; Hossenlopp, I.A.; McCullough, J.P., 2-Methyl-2-butanethiol: Chemical thermodynamic properties and rotational isomerism, J. Phys. Chem., 1962, 66, 1334-1341. [all data]

Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V., Gas chromatographic retention indices for sulphur(II)-containing organic substances, J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]

Golovnya and Garbuzov, 1974
Golovnya, R.V.; Garbuzov, V.G., Effect of heteroatom in aliphatic sulfur- and oxygen-containing compounds on the values of the retention indices in gas chromatography, Izv. Akad. Nauk SSSR Ser. Khim., 1974, 7, 1519-1521. [all data]

Zhu, Wang, et al., 2007
Zhu, X.H.; Wang, W.; Schramm, K.-W.; Niu, W., Prediction of the Kova´ ts Retention Indices of Thiols by Use of Quantum Chemical and Physicochemical Descriptors, Chromatographia, 2007, 65, 11-12, 719-724, https://doi.org/10.1365/s10337-007-0237-3 . [all data]

Leppin, Gollnick, et al., 1969
Leppin, E.; Gollnick, K.; Schomburg, G., Gas chromatographic identification of isomeric mercaptans, Chromatographia, 1969, 2, 12, 535-540, https://doi.org/10.1007/BF02260096 . [all data]

Notes

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• Symbols used in this document:
  

  ΔfH°gas

  Enthalpy of formation of gas at standard conditions

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