trans-Cinnamic 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid-325.3kJ/molCcbZavoianu, Ciocazan, et al., 1990ALS
Δfsolid-337.0kJ/molCcbParks and Mosher, 1962ALS
Δfsolid-340.kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Δcsolid-4359.3kJ/molCcbZavoianu, Ciocazan, et al., 1990Corresponding Δfsolid = -326. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-4348. ± 2.kJ/molCcbParks and Mosher, 1962Corresponding Δfsolid = -336.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-4344.7kJ/molCcbLandrieu, Baylocq, et al., 1929Corresponding Δfsolid = -340. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
197.5323.Satoh and Sogabe, 1939T = 0 to 100°C. Mean value.; DH

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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil573.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δsub107.1 ± 0.8kJ/molMEMonte and Hillesheim, 1999Based on data from 333. to 347. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
73.9445.AStephenson and Malanowski, 1987Based on data from 430. to 573. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
400.7 to 573.6.143893321.821-32.118Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
22.626406.15N/ASingh and Kumar, 1986DH
22.21406.1N/AMota, Queimada, et al., 2008AC
22.6404.8DSCSharma, Jamwal, et al., 2004AC
22.63406.2N/AAcree, 1991AC

Gas phase ion energetics 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference
9.00 ± 0.05EISchaldach, 1984

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass 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 NIST Mass Spectrometry Data Center
NIST MS number 352549

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UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Wawzonek and Lyons, 1950
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 9875
Instrument n.i.g.
Melting point 133
Boiling point 300

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Zavoianu, Ciocazan, et al., 1990
Zavoianu, D.; Ciocazan, I.; Moga-Gheorghe, S.; Bornaz, C., Structure and reactivity of acids. Heats of combustion and formation of some phenylacrylic acids., Rev. Chim. (Bucharest), 1990, 41, 234-236. [all data]

Parks and Mosher, 1962
Parks, G.S.; Mosher, H.P., Heats of combustion and formation of seven organic compounds containing oxygen, J. Chem. Phys., 1962, 37, 919-920. [all data]

Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R., Etude thermochimique dans la serie furanique, Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]

Satoh and Sogabe, 1939
Satoh, S.; Sogabe, T., The specific heats of some solid aromatic acids and their ammonium salts and the atomic heat of nitrogen, Sci. Pap. Inst. Phys. Chem. Res. (Tokyo), 1939, 36, 449-457. [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]

Monte and Hillesheim, 1999
Monte, Manuel J.S.; Hillesheim, Dorothea M., Vapour pressures, enthalpies and entropies of sublimation of trans -cinnamic acid and of nine methoxy and dimethoxycinnamic acids, The Journal of Chemical Thermodynamics, 1999, 31, 11, 1443-1456, https://doi.org/10.1006/jcht.1999.0540 . [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, 1947
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]

Singh and Kumar, 1986
Singh, N.B.; Kumar, P., Solidification behavior of the cinnamic acid-p-nitrophenol eutectic system, J. Chem. Eng. Data, 1986, 31, 406-408. [all data]

Mota, Queimada, et al., 2008
Mota, Fatima L.; Queimada, Antonio J.; Pinho, Simao P.; Macedo, Eugenia A., Aqueous Solubility of Some Natural Phenolic Compounds, Ind. Eng. Chem. Res., 2008, 47, 15, 5182-5189, https://doi.org/10.1021/ie071452o . [all data]

Sharma, Jamwal, et al., 2004
Sharma, B.L.; Jamwal, R.; Kant, R., Thermodynamic and lamella models relationship for the eutectic system benzoic acid-- cinnamic acid, Cryst. Res. Technol., 2004, 39, 5, 454-464, https://doi.org/10.1002/crat.200310210 . [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]

Schaldach, 1984
Schaldach, B., Chemistry of gaseous ions. Part VIII. Bond strength and mass spectrometric fragmentation of 2-methoxycinnamic acid, Int. J. Mass Spectrom. Ion Processes, 1984, 56, 237. [all data]

Wawzonek and Lyons, 1950
Wawzonek, S.; Lyons, P., J. Org. Chem., 1950, 15, 593. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References