Benzyl methyl ketone
- Formula: C9H10O
- Molecular weight: 134.1751
- IUPAC Standard InChI: InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
- IUPAC Standard InChIKey: QCCDLTOVEPVEJK-UHFFFAOYSA-N
- CAS Registry Number: 103-79-7
- 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: 2-Propanone, 1-phenyl-; Methyl benzyl ketone; Phenyl-2-propanone; Phenylacetone; 1-Phenyl-2-propanone; 3-Phenyl-2-propanone; α-Phenylacetone; Phenylmethyl methyl ketone; P2P; NSC 9827; 1-Phenylpropan-2-one; Fenproporex-M (desamino-oxo-); benzylmethylketon
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Gas phase thermochemistry data
Go To: Top, Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -94.64 | kJ/mol | Ccb | Nicholson, Szwarc, et al., 1954 | |
| ΔfH°gas | -94.64 | kJ/mol | Ccb | Nicholson, Szwarc, et al., 1954 |
Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -151.9 ± 1.7 | kJ/mol | Ccb | Nicholson, Szwarc, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -152.3 kJ/mol |
| ΔfH°liquid | -152.3 | kJ/mol | Ccb | Nicholson, Szwarc, et al., 1954 | |
| ΔfH°liquid | -162.5 ± 1.3 | kJ/mol | Ccb | Parks, Manchester, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -163.0 ± 1.3 kJ/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4818.8 ± 1.7 | kJ/mol | Ccb | Nicholson, Szwarc, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -4819. ± 2. kJ/mol; Corresponding ΔfHºliquid = -151.9 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -4818.5 ± 1.7 | kJ/mol | Ccb | Nicholson, Szwarc, et al., 1954 | Corresponding ΔfHºliquid = -152.3 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -4808.2 ± 1.2 | kJ/mol | Ccb | Parks, Manchester, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -4807.79 kJ/mol; Corresponding ΔfHºliquid = -162.6 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -4818. ± 3. | kJ/mol | Ccb | Springall and White, 1954 | Corresponding ΔfHºliquid = -152. kJ/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nicholson, Szwarc, et al., 1954
Nicholson, G.R.; Szwarc, M.; Taylor, J.W.,
The heats of formation of diacetyl and of benzyl methyl ketone in the vapour phase,
J. Chem. Soc., 1954, 2767-2769. [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]
Parks, Manchester, et al., 1954
Parks, G.S.; Manchester, K.E.; Vaughan, L.M.,
Heats of combustion and formation of some alcohols, phenols, and ketones,
J. Chem. Phys., 1954, 22, 2089-2090. [all data]
Springall and White, 1954
Springall, H.D.; White, T.R.,
Heats of combustion and molecular structure. Part II. The mean bond energy term for the carbonyl system in certain ketones,
J. Chem. Soc., 1954, 2765-27. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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