2-Propenoic acid, 3-(2-methoxyphenyl)-
- Formula: C10H10O3
- Molecular weight: 178.1846
- IUPAC Standard InChI: InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)
- IUPAC Standard InChIKey: FEGVSPGUHMGGBO-UHFFFAOYSA-N
- CAS Registry Number: 6099-03-2
- 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: Cinnamic acid, o-methoxy-; o-Methoxycinnamic acid; 2-Methoxy-cinnamic acid; 3-(2-Methoxyphenyl)-2-propenoic acid; (2E)-3-(2-Methoxyphenyl)-2-propenoic acid; trans-2-methoxycinnamic acid
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -1162.4 | kcal/mol | Ccb | Roth and Stoermer, 1913 | Corresponding ΔfHºsolid = -119.7 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) | Method | Reference |
|---|---|---|---|
| 7.777 | 458.7 | DSC | Huang, Chen, et al., 1994 |
Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1685.6 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apieson L | 140. | 1625. | Hedin, Minyard, et al., 1967 | Nitrogen, Chromosorb W HMDS (60-80 mesh); Column length: 1.8 m |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Huang, Chen, et al., 1994
Huang, Wei-Jun; Chen, Su-Ming; Tan, Fu; Yang, Zhen-Xiang,
Study on Thermodynamic Characteristics of Cinnamic Acid Derivatives,
Acta Phys. Chim. Sin., 1994, 10, 2, 151-153, https://doi.org/10.3866/PKU.WHXB19940212
. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Hedin, Minyard, et al., 1967
Hedin, P.A.; Minyard, J.P.; Thompson, A.C.,
Chromatographic and spectral analysis of phenolic acids and related compounds,
J. Chromatogr., 1967, 30, 43-53, https://doi.org/10.1016/S0021-9673(00)84111-4
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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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