EtCO2 anion

Formula: C₃H₅O₂^-
Molecular weight: 73.0711
IUPAC Standard InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
IUPAC Standard InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-M
CAS Registry Number: 72-03-7
Chemical structure:
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Other data available:
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Ion clustering data

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

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Clustering reactions

EtCO2 anion + = ( • )

By formula: C₃H₅O₂^- + H₂O = (C₃H₅O₂^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	68.2 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	38.9 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	35.1 ± 0.84	kJ/mol	N/A	Viidanoja, Reiner, et al., 2000	gas phase; B

( EtCO2 anion • ) + = ( • 2)

By formula: (C₃H₅O₂^- • H₂O) + H₂O = (C₃H₅O₂^- • 2H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.9 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	27.6 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	28.9 ± 0.84	kJ/mol	N/A	Viidanoja, Reiner, et al., 2000	gas phase; B

( EtCO2 anion • 2) + = ( • 3)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.6 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	21.3 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	21.3 ± 0.84	kJ/mol	N/A	Viidanoja, Reiner, et al., 2000	gas phase; B

References

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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]

Notes

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Symbols used in this document:

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions