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Benzene

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Reaction thermochemistry data

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

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

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 + Benzene = (Chlorine anion bullet Benzene)

By formula: Cl- + C6H6 = (Cl- bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar25.1 ± 1.9kJ/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
Deltar39. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar41.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Deltar36.kJ/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Deltar43.5kJ/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar74.9J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar71.J/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Deltar71.5J/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Deltar92.J/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar17. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar16. ± 6.7kJ/molIMREChowdhury and Kebarle, 1986gas phase; B
Deltar20. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Deltar15.9kJ/molIMREFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
15.300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
16.300.PHPMSChowdhury and Kebarle, 1986gas phase; M
16.300.PHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H5- + Hydrogen cation = Benzene

By formula: C6H5- + H+ = C6H6

Quantity Value Units Method Reference Comment
Deltar1678.7 ± 2.1kJ/molG+TSDavico, Bierbaum, et al., 1995gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Deltar1678.5 ± 0.88kJ/molD-EAGunion, Gilles, et al., 1992gas phase; B
Deltar1677. ± 10.kJ/molTDEqMeot-ner and Sieck, 1986gas phase; B
Deltar1680. ± 42.kJ/molCIDTGraul and Squires, 1990gas phase; B
Deltar1665. ± 23.kJ/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar1641.8 ± 1.7kJ/molIMREDavico, Bierbaum, et al., 1995gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Deltar1636. ± 8.4kJ/molTDEqMeot-ner and Sieck, 1986gas phase; B
Deltar1632. ± 27.kJ/molIMRBBartmess and McIver Jr., 1979gas phase; B
Deltar1628. ± 23.kJ/molIMRBBohme and Young, 1971gas phase; B

C6H6+ + Benzene = (C6H6+ bullet Benzene)

By formula: C6H6+ + C6H6 = (C6H6+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar60. ± 30.kJ/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Deltar96.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

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

By formula: Li+ + C6H6 = (Li+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar161. ± 13.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Deltar159.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Deltar153.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KN/AWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Deltar124.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M

Bromine anion + Benzene = (Bromine anion bullet Benzene)

By formula: Br- + C6H6 = (Br- bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar38. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar71.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar71.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar10. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; B
Deltar16. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
0.0423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

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

By formula: (Na+ bullet C6H6) + C6H6 = (Na+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar81. ± 5.kJ/molAVGN/AAverage of 7 values; Individual data points

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

By formula: Na+ + C6H6 = (Na+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar95.4 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar88.3 ± 5.0kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Deltar88.3 ± 4.6kJ/molCIDTArmentrout and Rodgers, 2000RCD
Deltar117.kJ/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Deltar131.J/mol*KHPMSGuo, Purnell, et al., 1990gas phase; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
65.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

C9H13N+ + Benzene = (C9H13N+ bullet Benzene)

By formula: C9H13N+ + C6H6 = (C9H13N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
11.331.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C7H9N+ + Benzene = (C7H9N+ bullet Benzene)

By formula: C7H9N+ + C6H6 = (C7H9N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar51.5kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar19.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C8H11N+ + Benzene = (C8H11N+ bullet Benzene)

By formula: C8H11N+ + C6H6 = (C8H11N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar41.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar9.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C10H10Fe+ + Benzene = (C10H10Fe+ bullet Benzene)

By formula: C10H10Fe+ + C6H6 = (C10H10Fe+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar30.kJ/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
13.252.PHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M

(Cobalt ion (1+) bullet Benzene) + Benzene = (Cobalt ion (1+) bullet 2Benzene)

By formula: (Co+ bullet C6H6) + C6H6 = (Co+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar167. ± 14.kJ/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
Deltar116.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; «DELTA»rS(490 K); M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
167. (+13.,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M
113. (+4.2,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; «DELTA»rS(490 K); M

C7H8+ + Benzene = (C7H8+ bullet Benzene)

By formula: C7H8+ + C6H6 = (C7H8+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar51.0kJ/molMPIErnstberger, Krause, et al., 1990gas phase; M
Deltar23.kJ/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Deltar51.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C2H7O+ + Benzene = (C2H7O+ bullet Benzene)

By formula: C2H7O+ + C6H6 = (C2H7O+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar88.kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
36.491.PHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

(Potassium ion (1+) bullet Benzene bullet Water) + Benzene = (Potassium ion (1+) bullet 2Benzene bullet Water)

By formula: (K+ bullet C6H6 bullet H2O) + C6H6 = (K+ bullet 2C6H6 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar60.2kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar126.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet 2Water bullet Benzene) + Water = (Potassium ion (1+) bullet 3Water bullet Benzene)

By formula: (K+ bullet 2H2O bullet C6H6) + H2O = (K+ bullet 3H2O bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar49.4kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet Water bullet Benzene) + Water = (Potassium ion (1+) bullet 2Water bullet Benzene)

By formula: (K+ bullet H2O bullet C6H6) + H2O = (K+ bullet 2H2O bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar53.1kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar89.5J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

Iodide + Benzene = (Iodide bullet Benzene)

By formula: I- + C6H6 = (I- bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar26. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar38. ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar59.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar8. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

C3H3+ + Benzene = (C3H3+ bullet Benzene)

By formula: C3H3+ + C6H6 = (C3H3+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar38.kJ/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar40.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar30.kJ/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M

(Potassium ion (1+) bullet Water bullet 2Benzene) + Water = (Potassium ion (1+) bullet 2Water bullet 2Benzene)

By formula: (K+ bullet H2O bullet 2C6H6) + H2O = (K+ bullet 2H2O bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar51.0kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

(C6H6+ bullet 2Benzene) + Benzene = (C6H6+ bullet 3Benzene)

By formula: (C6H6+ bullet 2C6H6) + C6H6 = (C6H6+ bullet 3C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar29.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M

(Potassium ion (1+) bullet Benzene bullet 2Water) + Benzene = (Potassium ion (1+) bullet 2Benzene bullet 2Water)

By formula: (K+ bullet C6H6 bullet 2H2O) + C6H6 = (K+ bullet 2C6H6 bullet 2H2O)

Quantity Value Units Method Reference Comment
Deltar53.6kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar141.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

Chromium ion (1+) + Benzene = (Chromium ion (1+) bullet Benzene)

By formula: Cr+ + C6H6 = (Cr+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar168.kJ/molMIDLin, Chen, et al., 1997RCD
Deltar164. ± 14.kJ/molRAKLin and Dunbar, 1997RCD
Deltar170. ± 10.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
170. (+9.6,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(Potassium ion (1+) bullet 2Benzene) + Water = (Potassium ion (1+) bullet Water bullet 2Benzene)

By formula: (K+ bullet 2C6H6) + H2O = (K+ bullet H2O bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar57.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar109.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet Benzene) + Water = (Potassium ion (1+) bullet Water bullet Benzene)

By formula: (K+ bullet C6H6) + H2O = (K+ bullet H2O bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar75.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar125.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet 2Water) + Benzene = (Potassium ion (1+) bullet Benzene bullet 2Water)

By formula: (K+ bullet 2H2O) + C6H6 = (K+ bullet C6H6 bullet 2H2O)

Quantity Value Units Method Reference Comment
Deltar56.1kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet 3Water) + Benzene = (Potassium ion (1+) bullet Benzene bullet 3Water)

By formula: (K+ bullet 3H2O) + C6H6 = (K+ bullet C6H6 bullet 3H2O)

Quantity Value Units Method Reference Comment
Deltar52.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet Water) + Benzene = (Potassium ion (1+) bullet Benzene bullet Water)

By formula: (K+ bullet H2O) + C6H6 = (K+ bullet C6H6 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar70.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar113.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

(Chromium ion (1+) bullet Benzene) + Benzene = (Chromium ion (1+) bullet 2Benzene)

By formula: (Cr+ bullet C6H6) + C6H6 = (Cr+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar212. ± 38.kJ/molRAKLin and Dunbar, 1997RCD
Deltar232. ± 18.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
231. (+18.,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

Fluorine anion + Benzene = (Fluorine anion bullet Benzene)

By formula: F- + C6H6 = (F- bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar64.02kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar81.6J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar39.3kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

Manganese ion (1+) + Benzene = (Manganese ion (1+) bullet Benzene)

By formula: Mn+ + C6H6 = (Mn+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar144.kJ/molMIDLin, Chen, et al., 1997RCD
Deltar133. ± 9.2kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
133. (+8.8,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

Vanadium ion (1+) + Benzene = (Vanadium ion (1+) bullet Benzene)

By formula: V+ + C6H6 = (V+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar>230.kJ/molRAKGapeev and Dunbar, 2002RCD
Deltar234. ± 10.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
233. (+9.6,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

Iron ion (1+) + Benzene = (Iron ion (1+) bullet Benzene)

By formula: Fe+ + C6H6 = (Fe+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar197.kJ/molRAKGapeev and Dunbar, 2002RCD
Deltar207. ± 12.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
208. (+9.6,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

Titanium ion (1+) + Benzene = (Titanium ion (1+) bullet Benzene)

By formula: Ti+ + C6H6 = (Ti+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar213.kJ/molRAKGapeev and Dunbar, 2002RCD
Deltar259. ± 9.2kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
259. (+8.8,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

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

By formula: (K+ bullet C6H6) + C6H6 = (K+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar67.4 ± 7.1kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Deltar78.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Deltar142.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C4H9+ + Benzene = (C4H9+ bullet Benzene)

By formula: C4H9+ + C6H6 = (C4H9+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar92.kJ/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
Deltar210.J/mol*KPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M

(C6H6+ bullet Benzene) + Benzene = (C6H6+ bullet 2Benzene)

By formula: (C6H6+ bullet C6H6) + C6H6 = (C6H6+ bullet 2C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar33. ± 2.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar82.8J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M

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

By formula: K+ + C6H6 = (K+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar73. ± 4.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Deltar80.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Deltar103.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C6H7N+ + Benzene = (C6H7N+ bullet Benzene)

By formula: C6H7N+ + C6H6 = (C6H7N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar49.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar94.6J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C11H10+ + Benzene = (C11H10+ bullet Benzene)

By formula: C11H10+ + C6H6 = (C11H10+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar38.kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

C6H5Cl+ + Benzene = (C6H5Cl+ bullet Benzene)

By formula: C6H5Cl+ + C6H6 = (C6H5Cl+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar58.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C9H12+ + Benzene = (C9H12+ bullet Benzene)

By formula: C9H12+ + C6H6 = (C9H12+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar44.4kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

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

By formula: NO- + C6H6 = (NO- bullet C6H6)

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

(Iron ion (1+) bullet Benzene) + Benzene = (Iron ion (1+) bullet 2Benzene)

By formula: (Fe+ bullet C6H6) + C6H6 = (Fe+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar187. ± 16.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
187. (+16.,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(Titanium ion (1+) bullet Benzene) + Benzene = (Titanium ion (1+) bullet 2Benzene)

By formula: (Ti+ bullet C6H6) + C6H6 = (Ti+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar253. ± 18.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
253. (+18.,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(Manganese ion (1+) bullet Benzene) + Benzene = (Manganese ion (1+) bullet 2Benzene)

By formula: (Mn+ bullet C6H6) + C6H6 = (Mn+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar203. ± 16.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
203. (+16.,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(Nickel ion (1+) bullet Benzene) + Benzene = (Nickel ion (1+) bullet 2Benzene)

By formula: (Ni+ bullet C6H6) + C6H6 = (Ni+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar147. ± 12.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
147. (+12.,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

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

By formula: (Cu+ bullet C6H6) + C6H6 = (Cu+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar155. ± 12.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
155. (+12.,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(CAS Reg. No. 79431-04-2 bullet 4294967295Benzene) + Benzene = CAS Reg. No. 79431-04-2

By formula: (CAS Reg. No. 79431-04-2 bullet 4294967295C6H6) + C6H6 = CAS Reg. No. 79431-04-2

Quantity Value Units Method Reference Comment
Deltar90. ± 18.kJ/molTherLee and Squires, 1986gas phase; Between SiH4, tBuOH; value altered from reference due to change in acidity scale; B

Nickel ion (1+) + Benzene = (Nickel ion (1+) bullet Benzene)

By formula: Ni+ + C6H6 = (Ni+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar243. ± 11.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
243. (+10.,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

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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Hiraoka, Mizuse, et al., 1988
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Paul and Kebarle, 1991
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French, Ikuta, et al., 1982
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Chowdhury, S.; Kebarle, P., Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3, J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687 . [all data]

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Ervin, K.M.; DeTuro, V.F., Anchoring the gas-phase acidity scale, J. Phys. Chem. A, 2002, 106, 42, 9947-9956, https://doi.org/10.1021/jp020594n . [all data]

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Alecu, I.M.; Gao, Y.D.; Hsieh, P.C.; Sand, J.P.; Ors, A.; McLeod, A.; Marshall, P., Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl+C6H6=HCl+C6H5, J. Phys. Chem. A, 2007, 111, 19, 3970-3976, https://doi.org/10.1021/jp067212o . [all data]

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Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr., The Gas Phase Acidity Scale in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [all data]

Hiraoka, Fujimaki, et al., 1991
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S., Stability and Structure of Benzene Dimer Cation (C6H6)2+, J. Chem. Phys., 1991, 95, 11, 8413, https://doi.org/10.1063/1.461270 . [all data]

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Field, Hamlet, et al., 1969
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Woodin and Beauchamp, 1978
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Dzidic and Kebarle, 1970
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Lee and Squires, 1986
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Notes

Go To: Top, Reaction thermochemistry data, References