Propane, 1,3-dimethoxy-

• Formula: C₅H₁₂O₂
• Molecular weight: 104.1476
• IUPAC Standard InChI: InChI=1S/C5H12O2/c1-6-4-3-5-7-2/h3-5H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: UUAMLBIYJDPGFU-UHFFFAOYSA-N Copy
• CAS Registry Number: 17081-21-9
• 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: Trimethylene glycol dimethyl ether; 1,3-Dimethoxypropane; CH3O(CH2)3OCH3
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Reaction 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + C₅H₁₂O₂ = (CH₆N⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₃H₁₀N⁺ +  = (C₃H₁₀N⁺ • )

By formula: C₃H₁₀N⁺ + C₅H₁₂O₂ = (C₃H₁₀N⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₅H₅FN⁺ +  = (C₅H₅FN⁺ • )

By formula: C₅H₅FN⁺ + C₅H₁₂O₂ = (C₅H₅FN⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₅H₆N⁺ +  = (C₅H₆N⁺ • )

By formula: C₅H₆N⁺ + C₅H₁₂O₂ = (C₅H₆N⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₆H₁₄N⁺ +  = (C₆H₁₄N⁺ • )

By formula: C₆H₁₄N⁺ + C₅H₁₂O₂ = (C₆H₁₄N⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

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

Ionization energy determinations

Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + C₅H₁₂O₂ = (CH₆N⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₃H₁₀N⁺ +  = (C₃H₁₀N⁺ • )

By formula: C₃H₁₀N⁺ + C₅H₁₂O₂ = (C₃H₁₀N⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₅H₅FN⁺ +  = (C₅H₅FN⁺ • )

By formula: C₅H₅FN⁺ + C₅H₁₂O₂ = (C₅H₅FN⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₅H₆N⁺ +  = (C₅H₆N⁺ • )

By formula: C₅H₆N⁺ + C₅H₁₂O₂ = (C₅H₆N⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

C₆H₁₄N⁺ +  = (C₆H₁₄N⁺ • )

By formula: C₆H₁₄N⁺ + C₅H₁₂O₂ = (C₆H₁₄N⁺ • C₅H₁₂O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

Meot-Ner, 1984
Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]

Meot-Ner (Mautner), 1983
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond. 3. Multiple and -CH+...O- Bonds. Complexes of Ammonium Ions with Polyethers and Crown Ethers, J. Am. Chem. Soc., 1983, 105, 15, 4912, https://doi.org/10.1021/ja00353a012 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Biermann and Morton, 1983
Biermann, H.W.; Morton, T.H., Reversible tautomerization of radical cations. Photoionization of 2-methoxyethanol and 3-methoxy-1-propanol, J. Am. Chem. Soc., 1983, 105, 5025. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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