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MeCO2 anion


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Ion clustering 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. 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

MeCO2 anion + Water = (MeCO2 anion bullet Water)

By formula: C2H3O2- + H2O = (C2H3O2- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.40 ± 0.80kcal/molTDAsWincel, 2008gas phase; B
Deltar15.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar16.0 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Deltar16.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar15.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.3cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar22.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.4kcal/molN/AWincel, 2008gas phase; B
Deltar9.52kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar9.3 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Deltar9.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

(MeCO2 anion bullet 2Water) + Water = (MeCO2 anion bullet 3Water)

By formula: (C2H3O2- bullet 2H2O) + H2O = (C2H3O2- bullet 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.8 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar11.8kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar5.84kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar5.9kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M

MeCO2 anion + Hydrogen cation = Acetic acid

By formula: C2H3O2- + H+ = C2H4O2

Quantity Value Units Method Reference Comment
Deltar348.2 ± 1.4kcal/molCIDCAngel and Ervin, 2006gas phase; B
Deltar348.1 ± 2.2kcal/molG+TSTaft and Topsom, 1987gas phase; B
Deltar348.6 ± 2.1kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Deltar348.7 ± 2.2kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar343.20 ± 0.70kcal/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar341.1 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase; B
Deltar341.5 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B
Deltar341.7 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B

(MeCO2 anion bullet Water) + Water = (MeCO2 anion bullet 2Water)

By formula: (C2H3O2- bullet H2O) + H2O = (C2H3O2- bullet 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar12.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Deltar12.9kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar20.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.00kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

(MeCO2 anion bullet 4Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 5Hydrogen cyanide)

By formula: (C2H3O2- bullet 4CHN) + CHN = (C2H3O2- bullet 5CHN)

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar2.40kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.5213.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(MeCO2 anion bullet 2Acetic acid bullet Water) + Acetic acid = (MeCO2 anion bullet 3Acetic acid bullet Water)

By formula: (C2H3O2- bullet 2C2H4O2 bullet H2O) + C2H4O2 = (C2H3O2- bullet 3C2H4O2 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar12.50 ± 0.60kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar5.73kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(MeCO2 anion bullet Acetic acid bullet Water) + Acetic acid = (MeCO2 anion bullet 2Acetic acid bullet Water)

By formula: (C2H3O2- bullet C2H4O2 bullet H2O) + C2H4O2 = (C2H3O2- bullet 2C2H4O2 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar19.69 ± 0.50kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar10.81kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Acetone = (MeCO2 anion bullet Acetone)

By formula: C2H3O2- + C3H6O = (C2H3O2- bullet C3H6O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Deltar15.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Acetaldehyde = (MeCO2 anion bullet Acetaldehyde)

By formula: C2H3O2- + C2H4O = (C2H3O2- bullet C2H4O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Deltar16.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.7cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.8 ± 2.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Acetamide, N-methyl- = (MeCO2 anion bullet Acetamide, N-methyl-)

By formula: C2H3O2- + C3H7NO = (C2H3O2- bullet C3H7NO)

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Deltar25.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar27.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar17.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(MeCO2 anion bullet 2Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 3Hydrogen cyanide)

By formula: (C2H3O2- bullet 2CHN) + CHN = (C2H3O2- bullet 3CHN)

Quantity Value Units Method Reference Comment
Deltar14.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.6cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(MeCO2 anion bullet 3Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 4Hydrogen cyanide)

By formula: (C2H3O2- bullet 3CHN) + CHN = (C2H3O2- bullet 4CHN)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar27.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.90kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(MeCO2 anion bullet Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 2Hydrogen cyanide)

By formula: (C2H3O2- bullet CHN) + CHN = (C2H3O2- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar16.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.60kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

MeCO2 anion + Phenol = (MeCO2 anion bullet Phenol)

By formula: C2H3O2- + C6H6O = (C2H3O2- bullet C6H6O)

Quantity Value Units Method Reference Comment
Deltar26.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Ethane, 1,1'-oxybis[2-methoxy- = (MeCO2 anion bullet Ethane, 1,1'-oxybis[2-methoxy-)

By formula: C2H3O2- + C6H14O3 = (C2H3O2- bullet C6H14O3)

Quantity Value Units Method Reference Comment
Deltar15.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.6 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Ethanol = (MeCO2 anion bullet Ethanol)

By formula: C2H3O2- + C2H6O = (C2H3O2- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Pyrrole = (MeCO2 anion bullet Pyrrole)

By formula: C2H3O2- + C4H5N = (C2H3O2- bullet C4H5N)

Quantity Value Units Method Reference Comment
Deltar24.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar16.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Indole = (MeCO2 anion bullet Indole)

By formula: C2H3O2- + C8H7N = (C2H3O2- bullet C8H7N)

Quantity Value Units Method Reference Comment
Deltar27.9 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar30.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Methanethiol = (MeCO2 anion bullet Methanethiol)

By formula: C2H3O2- + CH4S = (C2H3O2- bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar14.9 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Acetonitrile = (MeCO2 anion bullet Acetonitrile)

By formula: C2H3O2- + C2H3N = (C2H3O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar14.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.0cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(MeCO2 anion bullet CH3CONHCH(CH3)COOCH3) + Water = (MeCO2 anion bullet Water bullet CH3CONHCH(CH3)COOCH3)

By formula: (C2H3O2- bullet C6H11NO3) + H2O = (C2H3O2- bullet H2O bullet C6H11NO3)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(MeCO2 anion bullet Acetone) + Acetone = (MeCO2 anion bullet 2Acetone)

By formula: (C2H3O2- bullet C3H6O) + C3H6O = (C2H3O2- bullet 2C3H6O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Deltar10.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar17.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M

(MeCO2 anion bullet Acetamide, N-methyl-) + Acetamide, N-methyl- = (MeCO2 anion bullet 2Acetamide, N-methyl-)

By formula: (C2H3O2- bullet C3H7NO) + C3H7NO = (C2H3O2- bullet 2C3H7NO)

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Deltar17.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(MeCO2 anion bullet Water) + Acetic acid = (MeCO2 anion bullet Acetic acid bullet Water)

By formula: (C2H3O2- bullet H2O) + C2H4O2 = (C2H3O2- bullet C2H4O2 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar29.3 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar20.4 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Hydrogen cyanide = (MeCO2 anion bullet Hydrogen cyanide)

By formula: C2H3O2- + CHN = (C2H3O2- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar22.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,B,M
Quantity Value Units Method Reference Comment
Deltar23.5cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M

MeCO2 anion + CH3CONHCH(CH3)COOCH3 = (MeCO2 anion bullet CH3CONHCH(CH3)COOCH3)

By formula: C2H3O2- + C6H11NO3 = (C2H3O2- bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar31.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Deltar20.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Methyl Alcohol = (MeCO2 anion bullet Methyl Alcohol)

By formula: C2H3O2- + CH4O = (C2H3O2- bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar17.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Deltar10.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(MeCO2 anion bullet Water) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion bullet L-Alanine, N-acetyl-, methyl ester bullet Water)

By formula: (C2H3O2- bullet H2O) + C6H11NO3 = (C2H3O2- bullet C6H11NO3 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar27.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar38.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(MeCO2 anion bullet 2Acetic acid) + Acetic acid = (MeCO2 anion bullet 3Acetic acid)

By formula: (C2H3O2- bullet 2C2H4O2) + C2H4O2 = (C2H3O2- bullet 3C2H4O2)

Quantity Value Units Method Reference Comment
Deltar16.2kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar33.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

(MeCO2 anion bullet Acetic acid) + Acetic acid = (MeCO2 anion bullet 2Acetic acid)

By formula: (C2H3O2- bullet C2H4O2) + C2H4O2 = (C2H3O2- bullet 2C2H4O2)

Quantity Value Units Method Reference Comment
Deltar19.6kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar28.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

(MeCO2 anion bullet L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion bullet 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C2H3O2- bullet C6H11NO3) + C6H11NO3 = (C2H3O2- bullet 2C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar21.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar34.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(MeCO2 anion bullet Pyrrole) + Pyrrole = (MeCO2 anion bullet 2Pyrrole)

By formula: (C2H3O2- bullet C4H5N) + C4H5N = (C2H3O2- bullet 2C4H5N)

Quantity Value Units Method Reference Comment
Deltar17.9kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.2cal/mol*KPHPMSMeot-ner, 1988gas phase; M

MeCO2 anion + Acetic acid = (MeCO2 anion bullet Acetic acid)

By formula: C2H3O2- + C2H4O2 = (C2H3O2- bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar29.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

MeCO2 anion + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion bullet L-Alanine, N-acetyl-, methyl ester)

By formula: C2H3O2- + C6H11NO3 = (C2H3O2- bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar30.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar33.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

MeCO2 anion + 1H-Imidazole = (MeCO2 anion bullet 1H-Imidazole)

By formula: C2H3O2- + C3H4N2 = (C2H3O2- bullet C3H4N2)

Quantity Value Units Method Reference Comment
Deltar27.7kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(MeCO2 anion bullet 4294967295Carbon dioxide) + Carbon dioxide = MeCO2 anion

By formula: (C2H3O2- bullet 4294967295CO2) + CO2 = C2H3O2-

Quantity Value Units Method Reference Comment
Deltar59.7 ± 2.5kcal/molCIDCWenthold and Squires, 1994gas phase; B

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Ion clustering 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 by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
3.250 ± 0.010LPESWang, Woo, et al., 2006At 20 K
3.380 ± 0.050LPESWang, Jagoda-Cwiklik, et al., 2009 
<3.470 ± 0.010LPESLu and Continetti, 2004EA is upper limit, though close
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
3.179 ± 0.052ECDWentworth, Chen, et al., 1968Data reworked with current bond strengths
3.30 ± 0.20EIAETsuda and Hamill, 1964From MeCO2Et

Protonation reactions

MeCO2 anion + Hydrogen cation = Acetic acid

By formula: C2H3O2- + H+ = C2H4O2

Quantity Value Units Method Reference Comment
Deltar348.2 ± 1.4kcal/molCIDCAngel and Ervin, 2006gas phase
Deltar348.1 ± 2.2kcal/molG+TSTaft and Topsom, 1987gas phase
Deltar348.6 ± 2.1kcal/molG+TSCumming and Kebarle, 1978gas phase
Deltar348.7 ± 2.2kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale
Deltar343.20 ± 0.70kcal/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase
Quantity Value Units Method Reference Comment
Deltar341.1 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase
Deltar341.5 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase
Deltar341.7 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale

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

MeCO2 anion + Hydrogen cyanide = (MeCO2 anion bullet Hydrogen cyanide)

By formula: C2H3O2- + CHN = (C2H3O2- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar22.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,B,M
Quantity Value Units Method Reference Comment
Deltar23.5cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M

(MeCO2 anion bullet Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 2Hydrogen cyanide)

By formula: (C2H3O2- bullet CHN) + CHN = (C2H3O2- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar16.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.60kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(MeCO2 anion bullet 2Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 3Hydrogen cyanide)

By formula: (C2H3O2- bullet 2CHN) + CHN = (C2H3O2- bullet 3CHN)

Quantity Value Units Method Reference Comment
Deltar14.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.6cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(MeCO2 anion bullet 3Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 4Hydrogen cyanide)

By formula: (C2H3O2- bullet 3CHN) + CHN = (C2H3O2- bullet 4CHN)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar27.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.90kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(MeCO2 anion bullet 4Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 5Hydrogen cyanide)

By formula: (C2H3O2- bullet 4CHN) + CHN = (C2H3O2- bullet 5CHN)

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar2.40kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.5213.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

MeCO2 anion + Methyl Alcohol = (MeCO2 anion bullet Methyl Alcohol)

By formula: C2H3O2- + CH4O = (C2H3O2- bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar17.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Deltar10.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Methanethiol = (MeCO2 anion bullet Methanethiol)

By formula: C2H3O2- + CH4S = (C2H3O2- bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar14.9 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(MeCO2 anion bullet 4294967295Carbon dioxide) + Carbon dioxide = MeCO2 anion

By formula: (C2H3O2- bullet 4294967295CO2) + CO2 = C2H3O2-

Quantity Value Units Method Reference Comment
Deltar59.7 ± 2.5kcal/molCIDCWenthold and Squires, 1994gas phase; B

MeCO2 anion + Acetonitrile = (MeCO2 anion bullet Acetonitrile)

By formula: C2H3O2- + C2H3N = (C2H3O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar14.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.0cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Acetaldehyde = (MeCO2 anion bullet Acetaldehyde)

By formula: C2H3O2- + C2H4O = (C2H3O2- bullet C2H4O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Deltar16.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.7cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.8 ± 2.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Acetic acid = (MeCO2 anion bullet Acetic acid)

By formula: C2H3O2- + C2H4O2 = (C2H3O2- bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar29.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

(MeCO2 anion bullet Acetic acid) + Acetic acid = (MeCO2 anion bullet 2Acetic acid)

By formula: (C2H3O2- bullet C2H4O2) + C2H4O2 = (C2H3O2- bullet 2C2H4O2)

Quantity Value Units Method Reference Comment
Deltar19.6kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar28.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

(MeCO2 anion bullet 2Acetic acid) + Acetic acid = (MeCO2 anion bullet 3Acetic acid)

By formula: (C2H3O2- bullet 2C2H4O2) + C2H4O2 = (C2H3O2- bullet 3C2H4O2)

Quantity Value Units Method Reference Comment
Deltar16.2kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar33.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

(MeCO2 anion bullet Acetic acid bullet Water) + Acetic acid = (MeCO2 anion bullet 2Acetic acid bullet Water)

By formula: (C2H3O2- bullet C2H4O2 bullet H2O) + C2H4O2 = (C2H3O2- bullet 2C2H4O2 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar19.69 ± 0.50kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar10.81kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(MeCO2 anion bullet 2Acetic acid bullet Water) + Acetic acid = (MeCO2 anion bullet 3Acetic acid bullet Water)

By formula: (C2H3O2- bullet 2C2H4O2 bullet H2O) + C2H4O2 = (C2H3O2- bullet 3C2H4O2 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar12.50 ± 0.60kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar5.73kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Ethanol = (MeCO2 anion bullet Ethanol)

By formula: C2H3O2- + C2H6O = (C2H3O2- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + 1H-Imidazole = (MeCO2 anion bullet 1H-Imidazole)

By formula: C2H3O2- + C3H4N2 = (C2H3O2- bullet C3H4N2)

Quantity Value Units Method Reference Comment
Deltar27.7kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

MeCO2 anion + Acetone = (MeCO2 anion bullet Acetone)

By formula: C2H3O2- + C3H6O = (C2H3O2- bullet C3H6O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Deltar15.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(MeCO2 anion bullet Acetone) + Acetone = (MeCO2 anion bullet 2Acetone)

By formula: (C2H3O2- bullet C3H6O) + C3H6O = (C2H3O2- bullet 2C3H6O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Deltar10.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar17.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M

MeCO2 anion + Acetamide, N-methyl- = (MeCO2 anion bullet Acetamide, N-methyl-)

By formula: C2H3O2- + C3H7NO = (C2H3O2- bullet C3H7NO)

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Deltar25.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar27.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar17.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(MeCO2 anion bullet Acetamide, N-methyl-) + Acetamide, N-methyl- = (MeCO2 anion bullet 2Acetamide, N-methyl-)

By formula: (C2H3O2- bullet C3H7NO) + C3H7NO = (C2H3O2- bullet 2C3H7NO)

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Deltar17.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

MeCO2 anion + Pyrrole = (MeCO2 anion bullet Pyrrole)

By formula: C2H3O2- + C4H5N = (C2H3O2- bullet C4H5N)

Quantity Value Units Method Reference Comment
Deltar24.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar16.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(MeCO2 anion bullet Pyrrole) + Pyrrole = (MeCO2 anion bullet 2Pyrrole)

By formula: (C2H3O2- bullet C4H5N) + C4H5N = (C2H3O2- bullet 2C4H5N)

Quantity Value Units Method Reference Comment
Deltar17.9kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.2cal/mol*KPHPMSMeot-ner, 1988gas phase; M

MeCO2 anion + Phenol = (MeCO2 anion bullet Phenol)

By formula: C2H3O2- + C6H6O = (C2H3O2- bullet C6H6O)

Quantity Value Units Method Reference Comment
Deltar26.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion bullet L-Alanine, N-acetyl-, methyl ester)

By formula: C2H3O2- + C6H11NO3 = (C2H3O2- bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar30.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar33.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(MeCO2 anion bullet L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion bullet 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C2H3O2- bullet C6H11NO3) + C6H11NO3 = (C2H3O2- bullet 2C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar21.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar34.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

MeCO2 anion + CH3CONHCH(CH3)COOCH3 = (MeCO2 anion bullet CH3CONHCH(CH3)COOCH3)

By formula: C2H3O2- + C6H11NO3 = (C2H3O2- bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar31.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Deltar20.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(MeCO2 anion bullet CH3CONHCH(CH3)COOCH3) + Water = (MeCO2 anion bullet Water bullet CH3CONHCH(CH3)COOCH3)

By formula: (C2H3O2- bullet C6H11NO3) + H2O = (C2H3O2- bullet H2O bullet C6H11NO3)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

MeCO2 anion + Ethane, 1,1'-oxybis[2-methoxy- = (MeCO2 anion bullet Ethane, 1,1'-oxybis[2-methoxy-)

By formula: C2H3O2- + C6H14O3 = (C2H3O2- bullet C6H14O3)

Quantity Value Units Method Reference Comment
Deltar15.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.6 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Indole = (MeCO2 anion bullet Indole)

By formula: C2H3O2- + C8H7N = (C2H3O2- bullet C8H7N)

Quantity Value Units Method Reference Comment
Deltar27.9 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar30.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Water = (MeCO2 anion bullet Water)

By formula: C2H3O2- + H2O = (C2H3O2- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.40 ± 0.80kcal/molTDAsWincel, 2008gas phase; B
Deltar15.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar16.0 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Deltar16.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar15.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.3cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar22.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.4kcal/molN/AWincel, 2008gas phase; B
Deltar9.52kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar9.3 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Deltar9.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

(MeCO2 anion bullet Water) + Acetic acid = (MeCO2 anion bullet Acetic acid bullet Water)

By formula: (C2H3O2- bullet H2O) + C2H4O2 = (C2H3O2- bullet C2H4O2 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar29.3 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar20.4 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(MeCO2 anion bullet Water) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion bullet L-Alanine, N-acetyl-, methyl ester bullet Water)

By formula: (C2H3O2- bullet H2O) + C6H11NO3 = (C2H3O2- bullet C6H11NO3 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar27.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar38.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(MeCO2 anion bullet Water) + Water = (MeCO2 anion bullet 2Water)

By formula: (C2H3O2- bullet H2O) + H2O = (C2H3O2- bullet 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar12.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Deltar12.9kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar20.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.00kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

(MeCO2 anion bullet 2Water) + Water = (MeCO2 anion bullet 3Water)

By formula: (C2H3O2- bullet 2H2O) + H2O = (C2H3O2- bullet 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.8 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar11.8kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar5.84kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar5.9kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M

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.

Wincel, 2008
Wincel, H., Hydration energies of deprotonated amino acids from gas phase equilibria measurements, J. Am. Soc. Mass Spectrom., 2008, 19, 8, 1091-1097, https://doi.org/10.1016/j.jasms.2008.05.014 . [all data]

Meot-ner, Elmore, et al., 1999
Meot-ner, M.; Elmore, D.E.; Scheiner, S., Ionic Hydrogen Bond Effects on the Acidities, Basicities, Solvation, Solvent Bridging and Self-assembly of Carboxylic Groups, J. Am. Chem. Soc., 1999, 121, 33, 7625, https://doi.org/10.1021/ja982173i . [all data]

Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

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]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Angel and Ervin, 2006
Angel, L.A.; Ervin, K.M., Gas-phase acidities and O-H bond dissociation enthalpies of phenol, 3-methylphenol, 2,4,6-trimethylphenol, and ethanoic acid, J. Phys. Chem. A, 2006, 110, 35, 10392-10403, https://doi.org/10.1021/jp0627426 . [all data]

Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D., The Nature and Analysis of Substituent Effects, Prog. Phys. Org. Chem., 1987, 16, 1. [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]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]

Muftakhov, Vasil'ev, et al., 1999
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Meot-ner, Cybulski, et al., 1988
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Notes

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