2-Butyne-1,4-diol

• Formula: C₄H₆O₂
• Molecular weight: 86.0892
• IUPAC Standard InChI: InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2 Copy

  
• IUPAC Standard InChIKey: DLDJFQGPPSQZKI-UHFFFAOYSA-N Copy
• CAS Registry Number: 110-65-6
• 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:
  • 2-butyn-1,4-diol
• Other names: Bis(hydroxymethyl)acetylene; But-2-yne-1,4-diol; 1,4-Butynediol; 1,4-Dihydroxy-2-butyne; 2-Butynediol; Butynediol; 2-Butin-1,4-diol; UN 2716; 1,2-Dimethoxyacetylene; NSC 834
• Information on this page:
  • Reaction thermochemistry data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
• Options:
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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: John E. Bartmess

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

( • ) +  = ( • 2)

By formula: (Cl^- • C₄H₆O₂) + C₄H₆O₂ = (Cl^- • 2C₄H₆O₂)

 +  = ( • )

By formula: Cl^- + C₄H₆O₂ = (Cl^- • C₄H₆O₂)

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: John E. Bartmess

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

 +  = ( • )

By formula: Cl^- + C₄H₆O₂ = (Cl^- • C₄H₆O₂)

( • ) +  = ( • 2)

By formula: (Cl^- • C₄H₆O₂) + C₄H₆O₂ = (Cl^- • 2C₄H₆O₂)

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.

Zhang, Beglinger, et al., 1995
Zhang, W.; Beglinger, C.; Stone, J.A., High-pressure mass spectrometric study of the gas-phase association of Cl- with alpha,omega-diols, J. Phys. Chem., 1995, 99, 30, 11673, https://doi.org/10.1021/j100030a009 . [all data]

Notes

Go To: Top, Reaction thermochemistry data, Ion clustering data, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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