Ethanone, 1-(2,4,5-trimethylphenyl)-
- Formula: C11H14O
- Molecular weight: 162.2283
- IUPAC Standard InChI: InChI=1S/C11H14O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6H,1-4H3
- IUPAC Standard InChIKey: GENBEGZNCBFHSU-UHFFFAOYSA-N
- CAS Registry Number: 2040-07-5
- 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. - Other names: Acetophenone, 2',4',5'-trimethyl-; 2',4',5'-Trimethylacetophenone; 1-(2,4,5-Trimethylphenyl)-ethanone; 2,4,5-Trimethyl-acetophenone; 1-(2,4,5-trimethylphenyl)ethan-1-one
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Gas 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -189. ± 5.0 | kJ/mol | Ccb | Baker and Tweed, 1941 | Heat of formation derived by Cox and Pilcher, 1970 |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 519.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 63.2 ± 2.1 | kJ/mol | E | Baker and Tweed, 1941 | Reanalyzed by Cox and Pilcher, 1970, Original value = 44.81 kJ/mol; ALS |
| ΔvapH° | 63.0 | kJ/mol | N/A | Baker and Tweed, 1941 | DRB |
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.
Baker and Tweed, 1941
Baker, J.W.; Tweed, W.T.,
Mechanism of aromatic side-chain reactions, with special reference to the polar effects of substituents. Part X. Physical and chemical evidence relating to the polar effect of o-methyl substituents in derivatives of the type C6H2Me3.CO.CH2R,
J. Chem. Soc., 1941, 796-802. [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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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