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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, Phase change 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 | -36.30 ± 0.41 | kcal/mol | Ccb | Nicholson, Szwarc, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -36.40 kcal/mol |
| ΔfH°liquid | -36.40 | kcal/mol | Ccb | Nicholson, Szwarc, et al., 1954 | |
| ΔfH°liquid | -38.85 ± 0.30 | kcal/mol | Ccb | Parks, Manchester, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -38.96 ± 0.30 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1151.73 ± 0.40 | kcal/mol | Ccb | Nicholson, Szwarc, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1151.7 ± 0.4 kcal/mol; Corresponding ΔfHºliquid = -36.31 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1151.65 ± 0.40 | kcal/mol | Ccb | Nicholson, Szwarc, et al., 1954 | Corresponding ΔfHºliquid = -36.39 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1149.18 ± 0.28 | kcal/mol | Ccb | Parks, Manchester, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1149.09 kcal/mol; Corresponding ΔfHºliquid = -38.86 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1151.6 ± 0.6 | kcal/mol | Ccb | Springall and White, 1954 | Corresponding ΔfHºliquid = -36.4 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 489.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 257.8 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.4 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 13.4 ± 0.7 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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]
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]
Timmermans, 1922
Timmermans, J.,
Investigation of the Freezing Point of Organic Substances VII,
Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.