Dehydroacetic Acid

• Formula: C₈H₈O₄
• Molecular weight: 168.1467
• IUPAC Standard InChI: InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3 Copy

  
• IUPAC Standard InChIKey: PGRHXDWITVMQBC-UHFFFAOYSA-N Copy
• CAS Registry Number: 520-45-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-; Dehydracetic acid; DHA; DHS; 3-Acetyl-6-Methyldihydropyrandione-2,4(3H); 4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, δ-lactone; Methylacetopyronone; 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, δ-lactone; 3-Acetyl-6-methyl-2,4(3H)-pyrandione; 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione; 3-Acetyl-6-methylpyrandione-2,4; 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one; 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, enol form; Kyselina dehydroacetova; DHAA; 3-Acetyl-6-methyl-pyran-2,4-dione; 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-); 3-Acetyl-6-methyl-2,3-dihydropyran-2,4-dione; Acetic acid, dehydro-; Biocide 470F; NSC 8770
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Reaction thermochemistry data

Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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

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: 2C₄H₄O₂ = C₈H₈O₄

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Reaction thermochemistry data, UV/Visible spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Lopatin, Popov, et al., 1992
Lopatin, E.B.; Popov, V.V.; Epshtein, N.A.; Mikhaleva, L.M.; Makarov, Yu.N., Kinetic and thermochemical characteristics of diketene-based reactions, Khim.-Farm. Zh., 1992, 26, 76-78. [all data]

Berson, 1952
Berson, J.A., J. Am. Chem. Soc., 1952, 74, 5172. [all data]

Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization

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