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 • Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.40 ± 0.80kcal/molTDAsWincel, 2008gas phase; B
Δr15.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.0 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Δr16.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr15.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr22.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Δr9.0 ± 1.4kcal/molN/AWincel, 2008gas phase; B
Δr9.52kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr9.3 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Δr9.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr11.8kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr5.84kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.9kcal/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
Δr348.2 ± 1.4kcal/molCIDCAngel and Ervin, 2006gas phase; B
Δr348.1 ± 2.2kcal/molG+TSTaft and Topsom, 1987gas phase; B
Δr348.6 ± 2.1kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Δr348.7 ± 2.2kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr343.20 ± 0.70kcal/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr341.1 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase; B
Δr341.5 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B
Δr341.7 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Δr12.9kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr20.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr7.00kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

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

Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.40kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr12.50 ± 0.60kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr5.73kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr19.69 ± 0.50kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr10.81kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Acetone = (MeCO2 anion • Acetone)

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

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Δr15.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr9.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Acetaldehyde = (MeCO2 anion • Acetaldehyde)

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

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Δr16.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr9.8 ± 2.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Δr25.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr17.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr14.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.6cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr7.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr3.90kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr16.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.60kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

MeCO2 anion + Phenol = (MeCO2 anion • Phenol)

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

Quantity Value Units Method Reference Comment
Δr26.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr18.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr15.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr9.6 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Ethanol = (MeCO2 anion • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Pyrrole = (MeCO2 anion • Pyrrole)

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

Quantity Value Units Method Reference Comment
Δr24.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr16.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Indole = (MeCO2 anion • Indole)

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

Quantity Value Units Method Reference Comment
Δr27.9 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr30.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr18.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Methanethiol = (MeCO2 anion • Methanethiol)

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

Quantity Value Units Method Reference Comment
Δr14.9 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr8.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Acetonitrile = (MeCO2 anion • Acetonitrile)

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

Quantity Value Units Method Reference Comment
Δr14.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.0cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr9.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Δr10.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr17.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M

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

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

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Δr17.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr29.3 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr20.4 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr22.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,B,M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr31.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr20.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr17.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr10.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr27.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr38.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr16.2kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr33.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr19.6kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr21.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr34.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr17.9kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSMeot-ner, 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr29.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr29.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr30.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr33.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr27.7kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr59.7 ± 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
Δr348.2 ± 1.4kcal/molCIDCAngel and Ervin, 2006gas phase
Δr348.1 ± 2.2kcal/molG+TSTaft and Topsom, 1987gas phase
Δr348.6 ± 2.1kcal/molG+TSCumming and Kebarle, 1978gas phase
Δr348.7 ± 2.2kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale
Δr343.20 ± 0.70kcal/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase
Quantity Value Units Method Reference Comment
Δr341.1 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase
Δr341.5 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase
Δr341.7 ± 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 • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr22.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,B,M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr16.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.60kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr14.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.6cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr7.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr3.90kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.40kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

ΔrG° (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 • Methyl Alcohol)

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

Quantity Value Units Method Reference Comment
Δr17.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr10.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Methanethiol = (MeCO2 anion • Methanethiol)

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

Quantity Value Units Method Reference Comment
Δr14.9 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr8.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr59.7 ± 2.5kcal/molCIDCWenthold and Squires, 1994gas phase; B

MeCO2 anion + Acetonitrile = (MeCO2 anion • Acetonitrile)

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

Quantity Value Units Method Reference Comment
Δr14.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.0cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr9.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Acetaldehyde = (MeCO2 anion • Acetaldehyde)

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

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Δr16.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr9.8 ± 2.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr29.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr29.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr19.6kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr16.2kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr33.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr19.69 ± 0.50kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr10.81kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr12.50 ± 0.60kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr5.73kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Ethanol = (MeCO2 anion • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr27.7kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

MeCO2 anion + Acetone = (MeCO2 anion • Acetone)

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

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Δr15.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr9.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Δr10.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr17.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M

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

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

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Δr25.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr17.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Δr17.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

MeCO2 anion + Pyrrole = (MeCO2 anion • Pyrrole)

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

Quantity Value Units Method Reference Comment
Δr24.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr16.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr17.9kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSMeot-ner, 1988gas phase; M

MeCO2 anion + Phenol = (MeCO2 anion • Phenol)

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

Quantity Value Units Method Reference Comment
Δr26.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr18.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr30.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr33.8cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr21.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr34.1cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr31.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr20.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr15.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr9.6 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

MeCO2 anion + Indole = (MeCO2 anion • Indole)

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

Quantity Value Units Method Reference Comment
Δr27.9 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr30.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr18.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + Water = (MeCO2 anion • Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.40 ± 0.80kcal/molTDAsWincel, 2008gas phase; B
Δr15.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.0 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Δr16.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr15.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr22.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Δr9.0 ± 1.4kcal/molN/AWincel, 2008gas phase; B
Δr9.52kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr9.3 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Δr9.40 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

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

Quantity Value Units Method Reference Comment
Δr29.3 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr20.4 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr27.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr38.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Δr12.9kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr20.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr7.00kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr11.8kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr5.84kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.9kcal/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
Muftakhov, M.V.; Vasil'ev, Y.V.; Mazunov, V.A., Determination of electron affinity of carbonyl radicals by means of negative ion mass spectrometry, Rapid Commun. Mass Spectrom., 1999, 13, 12, 1104-1108, https://doi.org/10.1002/(SICI)1097-0231(19990630)13:12<1104::AID-RCM619>3.0.CO;2-C . [all data]

Meot-ner, Cybulski, et al., 1988
Meot-ner, M.; Cybulski, S.M.; Scheiner, S.; Liebman, J.F., Is CN- Significantly Anisotropic? Comparison of CN- vs. Cl-: Clustering with HCN and Condensed Phase Thermochemistry, J. Phys. Chem., 1988, 92, 10, 2738, https://doi.org/10.1021/j100321a009 . [all data]

Meot-Ner (Mautner), 1988
Meot-Ner (Mautner), M., Models for Strong Interactions in Proteins and Enzymes. 2. Interactions of Ions with the Peptide Link and Imidazole, J. Am. Chem. Soc., 1988, 110, 10, 3075, https://doi.org/10.1021/ja00218a014 . [all data]

Wenthold and Squires, 1994
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Wang, Woo, et al., 2006
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Notes

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