- Formula: C8H8O2
- Molecular weight: 136.1479
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: LUJMEECXHPYQOF-UHFFFAOYSA-N
- CAS Registry Number: 121-71-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Acetophenone, 3'-hydroxy-; m-Acetylphenol; m-Hydroxyacetophenone; 1-(3-Hydroxyphenyl)ethan-1-one; 3-Acetylphenol; 3'-Hydroxyacetophenone; 1-(3-Hydroxyphenyl)ethanone; 3-Hydroxyacetophenone; NSC 2440
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Condensed phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|cH°solid||-937.1 ± 1.0||kcal/mol||Ccb||Bonino, Manzoni-Ansidei, et al., 1937||Reanalyzed by Cox and Pilcher, 1970, Original value = -938.0 kcal/mol; Corresponding «DELTA»fHºsolid = -88.57 kcal/mol (simple calculation by NIST; no Washburn corrections)|
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, References, Notes
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.
C8H7O2- + =
By formula: C8H7O2- + H+ = C8H8O2
|rH°||342.5 ± 2.1||kcal/mol||G+TS||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale|
|rG°||335.6 ± 2.0||kcal/mol||IMRE||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale|
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Bonino, Manzoni-Ansidei, et al., 1937
Bonino, G.B.; Manzoni-Ansidei, R.; Rolla, M., Contributi sperimentali al probema della chelazione. VI. Ricerche termochimiche su acetilfenoli e acetil-resorcine, Ricerca Sci., 1937, 8, 357-360. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
cH°solid Enthalpy of combustion of solid at standard conditions rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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