Phenyl tert-butyl ketone
- Formula: C11H14O
- Molecular weight: 162.2283
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: OECPUBRNDKXFDX-UHFFFAOYSA-N
- CAS Registry Number: 938-16-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 1-Propanone, 2,2-dimethyl-1-phenyl-; Pivalophenone; «alpha»,«alpha»-Dimethylpropiophenone; tert-Butyl Phenyl ketone; 2,2-Dimethylpropiophenone; 2,2-Dimethyl-1-phenyl-1-propanone
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- Other data available:
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
|fH°liquid||-208.8 ± 2.5||kJ/mol||Ccb||Colomina, Latorre, et al., 1961|
|cH°liquid||-6120.7 ± 2.3||kJ/mol||Ccb||Colomina, Latorre, et al., 1961||Corresponding «DELTA»fHºliquid = -208.7 kJ/mol (simple calculation by NIST; no Washburn corrections)|
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
|Tboil||493.2||K||N/A||Weast and Grasselli, 1989||BS|
Enthalpy of vaporization
|vapH (kJ/mol)||Temperature (K)||Method||Reference||Comment|
|55.5||345.||A||Stephenson and Malanowski, 1987||Based on data from 330. - 493. K. See also Stull, 1947.; AC|
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
|330.9 - 493.||5.23048||2391.081||-35.926||Stull, 1947||Coefficents calculated by NIST from author's data.|
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|NIST MS number||163242|
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Colomina, Latorre, et al., 1961
Colomina, M.; Latorre, C.; Perez-Ossorio, R., Heats of combustion of five alkyl phenyl ketones, Pure & Appl. Chem., 1961, 2, 133-135. [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]
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, 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]
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point cH°liquid Enthalpy of combustion of liquid at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions vapH Enthalpy of vaporization
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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