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(Z)-3-Phenyl-2-propenoic acid


Condensed phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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
Deltacsolid-1047.75 ± 0.41kcal/molCcbEisenlohr and Metzner, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -1046.3 kcal/mol; Solid m.p 68 °C; Corresponding «DELTA»fsolid = -71.97 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-1043.97 ± 0.41kcal/molCcbEisenlohr and Metzner, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -1042.8 kcal/mol; Solid m.p 42°C; Corresponding «DELTA»fsolid = -75.75 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-1045.35 ± 0.41kcal/molCcbEisenlohr and Metzner, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -1044.1 kcal/mol; Solid m.p 58°C; Corresponding «DELTA»fsolid = -74.37 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-1043.50 ± 0.40kcal/molCcbEisenlohr and Hass, 1935Reanalyzed by Cox and Pilcher, 1970, Original value = -1042.7 kcal/mol; Corresponding «DELTA»fsolid = -76.22 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-1048.1kcal/molCcbRoth and Stoermer, 1913Corresponding «DELTA»fsolid = -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

DeltafusH (kcal/mol) Temperature (K) Reference
4.051341.2Acree, 1991

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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: 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
8.90EISchaldach, 1984

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Gas Chromatography, 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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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 Japan AIST/NIMC Database- Spectrum MS-IW-6816
NIST MS number 242129

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Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP-Wax 58CB2735.Pabst, Barron, et al., 199130. m/0.25 mm/0.22 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 220. C

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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]

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]

Pabst, Barron, et al., 1991
Pabst, A.; Barron, D.; Etiévant, P.; Schreier, P., Studies on the enzymatic hydrolysis of bound aroma constituents from raspberry fruit pulp, J. Agric. Food Chem., 1991, 39, 1, 173-175, https://doi.org/10.1021/jf00001a034 . [all data]


Notes

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