Phenylpropynal
- Formula: C9H6O
- Molecular weight: 130.1433
- IUPAC Standard InChI: InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
- IUPAC Standard InChIKey: IDASOVSVRKONFS-UHFFFAOYSA-N
- CAS Registry Number: 2579-22-8
- 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: Phenylpropargyl aldehyde; 2-Propynal, 3-phenyl-; Benzenepropiolaldehyde; Phenylacetylenecarboxaldehyde; Phenylpropiolaldehyde; Propiolaldehyde, phenyl-; 3-Phenyl-2-propynal; 3-Phenylpropynal; NSC 47568
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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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 128.8 ± 4.0 | kJ/mol | Ccb | N/A | recalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB |
| ΔfH°liquid | -104. | kJ/mol | Ccb | Moureu and Andre, 1914 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4527.9 | kJ/mol | Ccb | Moureu and Andre, 1914 | Corresponding ΔfHºliquid = 129. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
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 by: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference |
|---|---|---|
| 391.2 | 0.017 | Aldrich Chemical Company Inc., 1990 |
| 400.7 | 0.037 | Weast and Grasselli, 1989 |
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.
Moureu and Andre, 1914
Moureu, C.; Andre, E.,
Thermochimie des composes acetyleniques,
Ann. Chim. Phys., 1914, 1, 113-145. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid 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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