(Z)-1,3-Butadien-1-ol

• Formula: C₄H₆O
• Molecular weight: 70.0898
• IUPAC Standard InChI: InChI=1S/C4H6O/c1-2-3-4-5/h2-5H,1H2/b4-3- Copy

  
• IUPAC Standard InChIKey: LNDKRVOOYMEYTC-ARJAWSKDSA-N Copy
• CAS Registry Number: 70415-58-6
• 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.
• Stereoisomers:
  • (E)-1,3-Butadien-1-ol
• Other names: CH2=CHCH=CHOH (Z); (Z)-1-Hydroxy-1,3-butadiene; (1Z)-1,3-Butadien-1-ol; (Z)-1,3-Butadienol
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Options:
  • Switch to calorie-based units

Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, References, Notes

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 phase ion energetics data

Go To: Top, Gas phase thermochemistry data, References, Notes

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

View reactions leading to C₄H₆O⁺ (ion structure unspecified)

Ionization energy determinations

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes

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

Turecek, Havlas, et al., 1986
Turecek, F.; Havlas, Z.; Maquin, F.; Hill, N.; Gaumann, T., (E)- And (Z)-1-hydroxy-1,3-butadiene: new kinetically unstable C₄H₆O, J. Org. Chem., 1986, 51, 4061-4065. [all data]

Turecek, Havlas, et al., 1986, 2
Turecek, F.; Havlas, Z.; Maquin, F.; Hill, N.; Gaumann, T., (E)- and (Z)-1-hydroxy-1,3-butadiene: New kinetically unstable C₄H₆O isomers, J. Org. Chem., 1986, 51, 4061. [all data]

Turecek and Havlas, 1986
Turecek, F.; Havlas, Z., Energy barriers to the diels-alder cycloadditions and cycloreversions of cation-radicals in the gas phase, J. Chem. Soc. Perkin Trans. 2, 1986, 1011. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References

• 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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.