(Z)-3-Phenyl-2-propenoic acid
- Formula: C9H8O2
- Molecular weight: 148.1586
- IUPAC Standard InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
- IUPAC Standard InChIKey: WBYWAXJHAXSJNI-SREVYHEPSA-N
- CAS Registry Number: 102-94-3
- 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. - Stereoisomers:
- Other names: (Z)-Cinnamic acid; cis-β-Carboxystyrene; cis-Cinnamic acid; Allocinnamic acid; Cinnamic acid, (Z)-; Isocinnamic acid; 2-Propenoic acid, 3-phenyl-, (Z)-; (2Z)-3-Phenyl-2-propenoic acid; Cinnamic acid, cis-
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -1047.75 ± 0.41 | kcal/mol | Ccb | Eisenlohr and Metzner, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1046.3 kcal/mol; Solid m.p 68 °C; Corresponding ΔfHºsolid = -71.97 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -1043.97 ± 0.41 | kcal/mol | Ccb | Eisenlohr and Metzner, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1042.8 kcal/mol; Solid m.p 42°C; Corresponding ΔfHºsolid = -75.75 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -1045.35 ± 0.41 | kcal/mol | Ccb | Eisenlohr and Metzner, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1044.1 kcal/mol; Solid m.p 58°C; Corresponding ΔfHºsolid = -74.37 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -1043.50 ± 0.40 | kcal/mol | Ccb | Eisenlohr and Hass, 1935 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1042.7 kcal/mol; Corresponding ΔfHºsolid = -76.22 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -1048.1 | kcal/mol | Ccb | Roth and Stoermer, 1913 | Corresponding ΔfHºsolid = -71.6 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference |
|---|---|---|
| 4.051 | 341.2 | Acree, 1991 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-IW-6816 |
| NIST MS number | 242129 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Eisenlohr and Metzner, 1937
Eisenlohr, F.; Metzner, A.,
Uber die cis-zimtsauren. I,
Z. Phys. Chem., 1937, 178, 339-349. [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]
Eisenlohr and Hass, 1935
Eisenlohr, F.; Hass, W.,
Uber die cis-zimtsaure,
Z. Phys. Chem., 1935, 173, 249-264. [all data]
Roth and Stoermer, 1913
Roth, W.A.; Stoermer, R.,
Physikalisch-chemische untersuchungen an aromatischen stereoisomeren sauren 1,
Chem. Ber., 1913, 40, 260-280. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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