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EtCO2 anion


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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

(EtCO2 anion bullet 2Water) + Water = (EtCO2 anion bullet 3Water)

By formula: (C3H5O2- bullet 2H2O) + H2O = (C3H5O2- bullet 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar5.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar5.10 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(EtCO2 anion bullet Water) + Water = (EtCO2 anion bullet 2Water)

By formula: (C3H5O2- bullet H2O) + H2O = (C3H5O2- bullet 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar6.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar6.90 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

EtCO2 anion + Water = (EtCO2 anion bullet Water)

By formula: C3H5O2- + H2O = (C3H5O2- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar9.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar8.40 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

EtCO2 anion + Hydrogen cation = Propanoic acid

By formula: C3H5O2- + H+ = C3H6O2

Quantity Value Units Method Reference Comment
Deltar347.4 ± 2.2kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Deltar347.4 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar340.4 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Deltar340.3 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B

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: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
3.43 ± 0.16D-EACaldwell, Renneboog, et al., 1989 
3.40 ± 0.30LPESDing, Wang, et al., 1998Around 3.4 eV" for CH3(CH2)nCO2-, n=0-8, Dervived DH = 113.4±8 kcal/mol

Protonation reactions

EtCO2 anion + Hydrogen cation = Propanoic acid

By formula: C3H5O2- + H+ = C3H6O2

Quantity Value Units Method Reference Comment
Deltar347.4 ± 2.2kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Deltar347.4 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Deltar340.4 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Deltar340.3 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase

Ion clustering data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

EtCO2 anion + Water = (EtCO2 anion bullet Water)

By formula: C3H5O2- + H2O = (C3H5O2- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar9.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar8.40 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(EtCO2 anion bullet Water) + Water = (EtCO2 anion bullet 2Water)

By formula: (C3H5O2- bullet H2O) + H2O = (C3H5O2- bullet 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar6.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar6.90 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(EtCO2 anion bullet 2Water) + Water = (EtCO2 anion bullet 3Water)

By formula: (C3H5O2- bullet 2H2O) + H2O = (C3H5O2- bullet 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar5.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar5.10 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

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

Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [all data]

Viidanoja, Reiner, et al., 2000
Viidanoja, J.; Reiner, T.; Kiendler, A.; Grimm, F.; Arnold, F., Laboratory investigations of negative ion molecule reactions of propionic, butyric, glyoxylic, pyruvic, and pinonic acids, Int. J. Mass Spectrom., 2000, 194, 1, 53-68, https://doi.org/10.1016/S1387-3806(99)00172-4 . [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Ding, Wang, et al., 1998
Ding, C.F.; Wang, X.B.; Wang, L.S., Photoelectron spectroscopy of doubly charged anions: Intramolecular Coulomb repulsion and solvent stabilization, J. Phys. Chem. A, 1998, 102, 45, 8633-8636, https://doi.org/10.1021/jp982698x . [all data]


Notes

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