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2-Pentenoic acid


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
Deltacliquid-2664.4 ± 2.5kJ/molCcbSchjanberg, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -2664. ± 8. kJ/mol; At 293 K; Corresponding «DELTA»fliquid = -446.52 kJ/mol (simple calculation by NIST; no Washburn corrections)

Reaction 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C5H7O2- + Hydrogen cation = 2-Pentenoic acid

By formula: C5H7O2- + H+ = C5H8O2

Quantity Value Units Method Reference Comment
Deltar1444. ± 12.kJ/molG+TSGraul, Schnute, et al., 1990gas phase; Trans isomer
Quantity Value Units Method Reference Comment
Deltar1415. ± 12.kJ/molCIDCGraul, Schnute, et al., 1990gas phase; Trans isomer

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 as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.14PEHolmes, Terlouw, et al., 1979LLK

De-protonation reactions

C5H7O2- + Hydrogen cation = 2-Pentenoic acid

By formula: C5H7O2- + H+ = C5H8O2

Quantity Value Units Method Reference Comment
Deltar1444. ± 12.kJ/molG+TSGraul, Schnute, et al., 1990gas phase; Trans isomer; B
Quantity Value Units Method Reference Comment
Deltar1415. ± 12.kJ/molCIDCGraul, Schnute, et al., 1990gas phase; Trans isomer; B

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 TNO Volatile Compounds in Food - Chemical Concepts
NIST MS number 250093

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References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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.

Schjanberg, 1937
Schjanberg, E., Die verbrennungswarmen und die refraktionsdaten einiger pentensaureeste, Z. Phys. Chem., 1937, 178, 274-281. [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]

Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R., Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions, Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F . [all data]

Holmes, Terlouw, et al., 1979
Holmes, J.L.; Terlouw, J.K.; Vijfhuizen, P.C.; A'Campo, C., Metastable ion studies XII-Molecular and fragment ion structures for isomeric C4H6O2 acids, Org. Mass Spectrom., 1979, 14, 204. [all data]


Notes

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