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Acetone

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Reaction thermochemistry data

Go To: Top, 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
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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.

Reactions 1 to 50

Chlorine anion + Acetone = (Chlorine anion bullet Acetone)

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

Quantity Value Units Method Reference Comment
Deltar56. ± 6.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar76.1J/mol*KPHPMSSieck, 1985gas phase; M
Deltar82.0J/mol*KPHPMSFrench, Ikuta, et al., 1982gas phase; M
Deltar71.5J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Deltar82.4J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar33.8 ± 0.84kJ/molTDAsBofdanov and McMahon, 2002gas phase; B
Deltar30.5kJ/molTDAsHiraoka, Morise, et al., 1986gas phase; B
Deltar36.8 ± 1.3kJ/molTDAsSieck, 1985gas phase; B
Deltar34. ± 8.4kJ/molIMRELarson and McMahon, 1984, 2gas phase; B,M
Deltar33. ± 8.4kJ/molTDAsFrench, Ikuta, et al., 1982gas phase; B

C3H7O+ + Acetone = (C3H7O+ bullet Acetone)

By formula: C3H7O+ + C3H6O = (C3H7O+ bullet C3H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar128.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M
Deltar126.kJ/molPHPMSSzulejko and McMahon, 1991gas phase; M
Deltar124.kJ/molPHPMSHiraoka and Takimoto, 1986gas phase; M
Deltar132.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Deltar126.kJ/molPHPMSLau, Saluja, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar118.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M
Deltar128.J/mol*KPHPMSSzulejko and McMahon, 1991gas phase; M
Deltar123.J/mol*KPHPMSHiraoka and Takimoto, 1986gas phase; M
Deltar129.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Deltar127.J/mol*KPHPMSLau, Saluja, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar93.3kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C3H7O2+ + Acetone = (C3H7O2+ bullet Acetone)

By formula: C3H7O2+ + C3H6O = (C3H7O2+ bullet C3H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar126.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar121.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar89.5kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H9O+ + Acetone = (C4H9O+ bullet Acetone)

By formula: C4H9O+ + C3H6O = (C4H9O+ bullet C3H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar130.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar128.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar91.6kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H9O+ + Acetone = (C4H9O+ bullet Acetone)

By formula: C4H9O+ + C3H6O = (C4H9O+ bullet C3H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar123.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar122.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar86.6kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C5H11O+ + Acetone = (C5H11O+ bullet Acetone)

By formula: C5H11O+ + C3H6O = (C5H11O+ bullet C3H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar119.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar121.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar83.3kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C3H5O- + Hydrogen cation = Acetone

By formula: C3H5O- + H+ = C3H6O

Quantity Value Units Method Reference Comment
Deltar1543. ± 8.8kJ/molD-EABrinkman, Berger, et al., 1993gas phase; B
Deltar1544. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1546. ± 11.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Deltar1538. ± 7.5kJ/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar1514. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1516. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

C3H9Si+ + Acetone = (C3H9Si+ bullet Acetone)

By formula: C3H9Si+ + C3H6O = (C3H9Si+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar188.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
131.468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Sodium ion (1+) + Acetone = (Sodium ion (1+) bullet Acetone)

By formula: Na+ + C3H6O = (Na+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar131. ± 4.2kJ/molCIDTArmentrout and Rodgers, 2000RCD
Deltar129. ± 2.kJ/molHPMSHoyau, Norrman, et al., 1999See 96KLA/AND?; RCD
Deltar102.kJ/molCIDTKlassen, Anderson, et al., 1996RCD
Deltar140. ± 0.8kJ/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar87900.J/mol*KHPMSHoyau, Norrman, et al., 1999See 96KLA/AND?; RCD
Deltar109.J/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
101.298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(Copper ion (1+) bullet Acetone) + Acetone = (Copper ion (1+) bullet 2Acetone)

By formula: (Cu+ bullet C3H6O) + C3H6O = (Cu+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar210. ± 7.1kJ/molCIDTChu, 2002RCD
Deltar64.9kJ/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Deltar33.kJ/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

Copper ion (1+) + Acetone = (Copper ion (1+) bullet Acetone)

By formula: Cu+ + C3H6O = (Cu+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar199. ± 4.2kJ/molCIDTChu, 2002RCD
Deltar62.3kJ/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Deltar31.kJ/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

Water + Propane, 2,2-dimethoxy- = 2Methyl Alcohol + Acetone

By formula: H2O + C5H12O2 = 2CH4O + C3H6O

Quantity Value Units Method Reference Comment
Deltar20.3 ± 0.04kJ/molCmWiberg, Morgan, et al., 1994liquid phase; ALS
Deltar20.43 ± 0.04kJ/molCmWiberg and Squires, 1979liquid phase; Heat of hydrolysis; ALS
Deltar20.433 ± 0.028kJ/molCmWiberg and Squires, 1979, 2liquid phase; solvent: Water; Hydrolysis; ALS
Deltar-16.5 ± 0.2kJ/molCmStern and Dorer, 1962liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 15.4 ± 0.2 kJ/mol; Heat of hydrolysis; ALS

C3H9Sn+ + Acetone = (C3H9Sn+ bullet Acetone)

By formula: C3H9Sn+ + C3H6O = (C3H9Sn+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar156.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar129.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar88.7kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

(NH4+ bullet 4Acetone) + Acetone = (NH4+ bullet 5Acetone)

By formula: (H4N+ bullet 4C3H6O) + C3H6O = (H4N+ bullet 5C3H6O)

Quantity Value Units Method Reference Comment
Deltar42.3kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AMeot-Ner (Mautner), Sieck, et al., 1996gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
19.215.PHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; Entropy change calculated or estimated; M

CN- + Acetone = (CN- bullet Acetone)

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

Quantity Value Units Method Reference Comment
Deltar62. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar94.1J/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar33. ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

(Chlorine anion bullet 2Acetone) + Acetone = (Chlorine anion bullet 3Acetone)

By formula: (Cl- bullet 2C3H6O) + C3H6O = (Cl- bullet 3C3H6O)

Quantity Value Units Method Reference Comment
Deltar43.5 ± 8.4kJ/molTDAsHiraoka, Takimoto, et al., 1986gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar92.J/mol*KN/AHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar16. ± 19.kJ/molTDAsHiraoka, Takimoto, et al., 1986gas phase; Entropy estimated; B

Hydrogen + Acetone = Isopropyl Alcohol

By formula: H2 + C3H6O = C3H8O

Quantity Value Units Method Reference Comment
Deltar-68.74 ± 0.42kJ/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
Deltar-55.23kJ/molEqkBuckley and Herington, 1965gas phase; ALS
Deltar-55.40 ± 0.42kJ/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -56.1 ± 0.4 kJ/mol; At 355 °K; ALS

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
Deltar65.7 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar91.6J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar38. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar48.1 ± 4.2kJ/molTDAsHiraoka, Takimoto, et al., 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar84.9J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar23. ± 9.2kJ/molTDAsHiraoka, Takimoto, et al., 1986gas phase; B

C6H5NO2- + Acetone = (C6H5NO2- bullet Acetone)

By formula: C6H5NO2- + C3H6O = (C6H5NO2- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar59.41 ± 0.84kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.8 ± 1.7kJ/molTDAsSieck, 1985gas phase; B

Nitrogen oxide anion + Acetone = (Nitrogen oxide anion bullet Acetone)

By formula: NO2- + C3H6O = (NO2- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar66.53 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar108.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar34.3 ± 0.84kJ/molTDAsSieck, 1985gas phase; B

(CAS Reg. No. 15520-32-8 bullet 4294967295Acetone) + Acetone = CAS Reg. No. 15520-32-8

By formula: (CAS Reg. No. 15520-32-8 bullet 4294967295C3H6O) + C3H6O = CAS Reg. No. 15520-32-8

Quantity Value Units Method Reference Comment
Deltar162. ± 4.2kJ/molN/ARamond, Davico, et al., 2000gas phase; B
Deltar15. ± 9.2kJ/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

cyclopentadienide anion + Acetone = (cyclopentadienide anion bullet Acetone)

By formula: C5H5- + C3H6O = (C5H5- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar56.5 ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar91.2J/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar29. ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B

pyrrolide anion + Acetone = (pyrrolide anion bullet Acetone)

By formula: C4H4N- + C3H6O = (C4H4N- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar54.8 ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar85.8J/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar29. ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B

(Potassium ion (1+) bullet 2Acetone) + Acetone = (Potassium ion (1+) bullet 3Acetone)

By formula: (K+ bullet 2C3H6O) + C3H6O = (K+ bullet 3C3H6O)

Quantity Value Units Method Reference Comment
Deltar67.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KHPMSSunner, 1984gas phase; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
38.293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C3H7O+ bullet 2Acetone) + Acetone = (C3H7O+ bullet 3Acetone)

By formula: (C3H7O+ bullet 2C3H6O) + C3H6O = (C3H7O+ bullet 3C3H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar36.kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar71.1J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H7O+ bullet Acetone) + Acetone = (C3H7O+ bullet 2Acetone)

By formula: (C3H7O+ bullet C3H6O) + C3H6O = (C3H7O+ bullet 2C3H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar51.0kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar96.2J/mol*KPHPMSHiraoka, Morise, et al., 1986gas 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
Deltar45.2kJ/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar74.9J/mol*KPHPMSMeot-ner, 1988gas phase; M

CH6N+ + Acetone = (CH6N+ bullet Acetone)

By formula: CH6N+ + C3H6O = (CH6N+ bullet C3H6O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar100.kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar97.1J/mol*KPHPMSMeot-Ner, 1984gas phase; M

C3H5O- + Acetone = (C3H5O- bullet Acetone)

By formula: C3H5O- + C3H6O = (C3H5O- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar>108.4kJ/molIMRBSheldon and Bowie, 1983gas phase; MeOH..F- + Me2CO ->; B
Quantity Value Units Method Reference Comment
Deltar>82.42kJ/molIMRBSheldon and Bowie, 1983gas phase; MeOH..F- + Me2CO ->; B

(Aluminum ion (1+) bullet Acetone) + Acetone = (Aluminum ion (1+) bullet 2Acetone)

By formula: (Al+ bullet C3H6O) + C3H6O = (Al+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar118.kJ/molHPMSBauschlicher, Bouchard, et al., 1991gas phase; laser desorption; M
Quantity Value Units Method Reference Comment
Deltar128.J/mol*KHPMSBauschlicher, Bouchard, et al., 1991gas phase; laser desorption; M

Nitric oxide anion + Acetone = (Nitric oxide anion bullet Acetone)

By formula: NO- + C3H6O = (NO- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar172.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Potassium ion (1+) + Acetone = (Potassium ion (1+) bullet Acetone)

By formula: K+ + C3H6O = (K+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar102.kJ/molCIDTKlassen, Anderson, et al., 1996RCD
Deltar110.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KHPMSSunner, 1984gas phase; M

(Sodium ion (1+) bullet 2Acetone) + Acetone = (Sodium ion (1+) bullet 3Acetone)

By formula: (Na+ bullet 2C3H6O) + C3H6O = (Na+ bullet 3C3H6O)

Quantity Value Units Method Reference Comment
Deltar86.6 ± 0.8kJ/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar126.J/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

(Sodium ion (1+) bullet 3Acetone) + Acetone = (Sodium ion (1+) bullet 4Acetone)

By formula: (Na+ bullet 3C3H6O) + C3H6O = (Na+ bullet 4C3H6O)

Quantity Value Units Method Reference Comment
Deltar61.5 ± 0.8kJ/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar114.J/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

(Sodium ion (1+) bullet Acetone) + Acetone = (Sodium ion (1+) bullet 2Acetone)

By formula: (Na+ bullet C3H6O) + C3H6O = (Na+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar105. ± 0.4kJ/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar103.J/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

(NH4+ bullet 2Acetone) + Acetone = (NH4+ bullet 3Acetone)

By formula: (H4N+ bullet 2C3H6O) + C3H6O = (H4N+ bullet 3C3H6O)

Quantity Value Units Method Reference Comment
Deltar66.1kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar109.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

(NH4+ bullet 3Acetone) + Acetone = (NH4+ bullet 4Acetone)

By formula: (H4N+ bullet 3C3H6O) + C3H6O = (H4N+ bullet 4C3H6O)

Quantity Value Units Method Reference Comment
Deltar54.8kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

(NH4+ bullet Acetone) + Acetone = (NH4+ bullet 2Acetone)

By formula: (H4N+ bullet C3H6O) + C3H6O = (H4N+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar84.9kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar104.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

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

By formula: (C4H4N- bullet C3H6O) + C3H6O = (C4H4N- bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar44.8kJ/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar79.5J/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

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

By formula: (C5H5- bullet C3H6O) + C3H6O = (C5H5- bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar68.6J/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

NH4+ + Acetone = (NH4+ bullet Acetone)

By formula: H4N+ + C3H6O = (H4N+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar118.kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

Lithium ion (1+) + Acetone = (Lithium ion (1+) bullet Acetone)

By formula: Li+ + C3H6O = (Li+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar186.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

C2H7OS+ + Acetone = (C2H7OS+ bullet Acetone)

By formula: C2H7OS+ + C3H6O = (C2H7OS+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar101.kJ/molPHPMSLau, Saluja, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar103.J/mol*KPHPMSLau, Saluja, et al., 1980gas phase; M

(Potassium ion (1+) bullet Acetone) + Acetone = (Potassium ion (1+) bullet 2Acetone)

By formula: (K+ bullet C3H6O) + C3H6O = (K+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar88.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KHPMSSunner, 1984gas phase; M

Isopropyl Alcohol = Hydrogen + Acetone

By formula: C3H8O = H2 + C3H6O

Quantity Value Units Method Reference Comment
Deltar55.23kJ/molEqkBuckley and Herington, 1965gas phase; ALS
Deltar56.543kJ/molEqkKolb and Burwell, 1945gas phase; ALS

Magnesium ion (1+) + Acetone = (Magnesium ion (1+) bullet Acetone)

By formula: Mg+ + C3H6O = (Mg+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar280. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Hydrogen bromide + Bromoacetone = Acetone + Bromine

By formula: HBr + C3H5BrO = C3H6O + Br2

Quantity Value Units Method Reference Comment
Deltar31.1 ± 8.4kJ/molEqkKing, Golden, et al., 1971gas phase; Heat of bromination at 516-618 K; ALS

Dichlorothiolacetic acid + Acetone = Ethanethioic acid, dichloro-, S-(1-hydroxy-1-methylethyl) ester

By formula: C2H2Cl2OS + C3H6O = C5H8Cl2O2S

Quantity Value Units Method Reference Comment
Deltar-27. ± 0.4kJ/molEqkHorii, Kawamura, et al., 1972liquid phase; solvent: CD3COCD3; NMR; ALS

Thioacetic acid + Acetone = Ethanethioic acid, S-(1-hydroxy-1-methylethyl) ester

By formula: C2H4OS + C3H6O = C5H10O2S

Quantity Value Units Method Reference Comment
Deltar-27. ± 0.8kJ/molEqkHorii, Kawamura, et al., 1972liquid phase; solvent: CD3COCD3; NMR; ALS

References

Go To: Top, Reaction thermochemistry data, Notes

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

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French, Ikuta, et al., 1982
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Larson and McMahon, 1984
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Bofdanov and McMahon, 2002
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Hiraoka, Morise, et al., 1986
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Larson and McMahon, 1984, 2
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Grimsrud and Kebarle, 1973
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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]

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Meot-ner, M., The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules, J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022 . [all data]

Sunner, 1984
Sunner, J. Kebarle, Ion - Solvent Molecule Interactions in the Gas Phase. The Potassium Ion and Me2SO, DMA, DMF, and Acetone, J. Am. Chem. Soc., 1984, 106, 21, 6135, https://doi.org/10.1021/ja00333a002 . [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]

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Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]

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Sheldon, J.C.; Bowie, J.H., The Reactions of {F-..HOMe} and {MeCO2-..HF} Negative Ions with Acetaldehyde and Acetone., Aust. J. Chem., 1983, 36, 2, 289, https://doi.org/10.1071/CH9830289 . [all data]

Bauschlicher, Bouchard, et al., 1991
Bauschlicher, C.W.; Bouchard, F.; Hepburn, J.W.; McMahon, T.B.; Surjasasmita, I.; Roth, L.M.; Gord, J.R., On the Structure of Al(Acetone)2+, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 15, https://doi.org/10.1016/0168-1176(91)85094-3 . [all data]

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Farid and McMahon, 1978
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Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
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King, Golden, et al., 1971
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Horii, Kawamura, et al., 1972
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Notes

Go To: Top, Reaction thermochemistry data, References