Propane-1,3-diol, 2-methyl-

• Formula: C₄H₁₀O₂
• Molecular weight: 90.1210
• IUPAC Standard InChI: InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3 Copy

  
• IUPAC Standard InChIKey: QWGRWMMWNDWRQN-UHFFFAOYSA-N Copy
• CAS Registry Number: 2163-42-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 2-Methyl-1,3-propanediol; MP diol glycol; 1,3-Propanediol, 2-methyl-; propanediol 2-methyl
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • 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: William E. Acree, Jr., James S. Chickos

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:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Appearance energy determinations

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

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Verevkin, 2007
Verevkin, Sergey P., Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols, J. Chem. Eng. Data, 2007, 52, 1, 301-308, https://doi.org/10.1021/je060419q . [all data]

Wilson, VonNiederhausern, et al., 2002
Wilson, Grant M.; VonNiederhausern, David M.; Giles, Neil F., Critical Point and Vapor Pressure Measurements for Nine Compounds by a Low Residence Time Flow Method, J. Chem. Eng. Data, 2002, 47, 4, 761-764, https://doi.org/10.1021/je0100995 . [all data]

Holmes, Lossing, et al., 1991
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., Heats of formation of oxygen-containing organic free radicals from appearance energy measurements, J. Am. Chem. Soc., 1991, 113, 9723. [all data]

Holmes, Mommers, et al., 1984
Holmes, J.L.; Mommers, A.A.; Szulejko, J.E.; Terlouw, J.K., Two new stable [C₃H₈O]⁺ isomers: The radical cations [C₃H₆OH₂]⁺, J. Chem. Soc., Chem. Commun., 1984, 165. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔvapH°	Enthalpy of vaporization at standard conditions

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