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 | 30.78 ± 0.96 | kcal/mol | Ccb | N/A | recalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB |
| ΔfH°liquid | -24.9 | kcal/mol | Ccb | Moureu and Andre, 1914 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1082.2 | kcal/mol | Ccb | Moureu and Andre, 1914 | Corresponding ΔfHºliquid = 30.8 kcal/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 (atm) | Reference |
|---|---|---|
| 391.2 | 0.017 | Aldrich Chemical Company Inc., 1990 |
| 400.7 | 0.037 | Weast and Grasselli, 1989 |
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.
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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