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
- IUPAC Standard InChIKey: PGRHXDWITVMQBC-UHFFFAOYSA-N
- 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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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 543.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 62.1 | 379. | A | Stephenson and Malanowski, 1987 | Based on data from 364. to 542. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 364.8 to 542. | 5.18041 | 2571.402 | -45.659 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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.
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]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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