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 • Benzene)

By formula: Cl- + C6H6 = (Cl- • C6H6)

Quantity Value Units Method Reference Comment
Δr25.1 ± 1.9kJ/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
Δr39. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr41.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Δr36.kJ/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr43.5kJ/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr74.9J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr71.J/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr71.5J/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr92.J/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr17. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr16. ± 6.7kJ/molIMREChowdhury and Kebarle, 1986gas phase; B
Δr20. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Δr15.9kJ/molIMREFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (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
Δr1678.7 ± 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
Δr1678.5 ± 0.88kJ/molD-EAGunion, Gilles, et al., 1992gas phase; B
Δr1677. ± 10.kJ/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr1680. ± 42.kJ/molCIDTGraul and Squires, 1990gas phase; B
Δr1665. ± 23.kJ/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr1641.8 ± 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
Δr1636. ± 8.4kJ/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr1632. ± 27.kJ/molIMRBBartmess and McIver Jr., 1979gas phase; B
Δr1628. ± 23.kJ/molIMRBBohme and Young, 1971gas phase; B

C6H6+ + Benzene = (C6H6+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr60. ± 30.kJ/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Δr96.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

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

By formula: Li+ + C6H6 = (Li+ • C6H6)

Quantity Value Units Method Reference Comment
Δr161. ± 13.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr159.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Δr153.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr115.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
Δr124.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 • Benzene)

By formula: Br- + C6H6 = (Br- • C6H6)

Quantity Value Units Method Reference Comment
Δr38. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr71.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr71.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr10. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; B
Δr16. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr81. ± 5.kJ/molAVGN/AAverage of 7 values; Individual data points

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

By formula: Na+ + C6H6 = (Na+ • C6H6)

Quantity Value Units Method Reference Comment
Δr95.4 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr88.3 ± 5.0kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr88.3 ± 4.6kJ/molCIDTArmentrout and Rodgers, 2000RCD
Δr117.kJ/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr131.J/mol*KHPMSGuo, Purnell, et al., 1990gas phase; M

Free energy of reaction

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

C9H13N+ + Benzene = (C9H13N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr46.9kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (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+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr51.5kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr19.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C8H11N+ + Benzene = (C8H11N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr41.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C10H10Fe+ + Benzene = (C10H10Fe+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr30.kJ/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr167. ± 14.kJ/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
Δr116.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

Enthalpy of reaction

ΔrH° (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; ΔrS(490 K); M

C7H8+ + Benzene = (C7H8+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr51.0kJ/molMPIErnstberger, Krause, et al., 1990gas phase; M
Δr23.kJ/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Δr51.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C2H7O+ + Benzene = (C2H7O+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr88.kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (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+) • Benzene • Water) + Benzene = (Potassium ion (1+) • 2Benzene • Water)

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

Quantity Value Units Method Reference Comment
Δr60.2kJ/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
Δr126.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr49.4kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr53.1kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr89.5J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

Iodide + Benzene = (Iodide • Benzene)

By formula: I- + C6H6 = (I- • C6H6)

Quantity Value Units Method Reference Comment
Δr26. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr38. ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr59.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr8. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

C3H3+ + Benzene = (C3H3+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr38.kJ/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr40.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr30.kJ/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Δr51.0kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr123.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr29.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr53.6kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr141.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+) • Benzene)

By formula: Cr+ + C6H6 = (Cr+ • C6H6)

Quantity Value Units Method Reference Comment
Δr168.kJ/molMIDLin, Chen, et al., 1997RCD
Δr164. ± 14.kJ/molRAKLin and Dunbar, 1997RCD
Δr170. ± 10.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • 2Benzene) + Water = (Potassium ion (1+) • Water • 2Benzene)

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

Quantity Value Units Method Reference Comment
Δr57.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr109.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr75.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr125.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr56.1kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr102.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr52.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr115.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr70.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr113.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr212. ± 38.kJ/molRAKLin and Dunbar, 1997RCD
Δr232. ± 18.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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 • Benzene)

By formula: F- + C6H6 = (F- • C6H6)

Quantity Value Units Method Reference Comment
Δr64.02kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr81.6J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr39.3kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

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

By formula: Mn+ + C6H6 = (Mn+ • C6H6)

Quantity Value Units Method Reference Comment
Δr144.kJ/molMIDLin, Chen, et al., 1997RCD
Δr133. ± 9.2kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene)

By formula: V+ + C6H6 = (V+ • C6H6)

Quantity Value Units Method Reference Comment
Δr>230.kJ/molRAKGapeev and Dunbar, 2002RCD
Δr234. ± 10.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene)

By formula: Fe+ + C6H6 = (Fe+ • C6H6)

Quantity Value Units Method Reference Comment
Δr197.kJ/molRAKGapeev and Dunbar, 2002RCD
Δr207. ± 12.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene)

By formula: Ti+ + C6H6 = (Ti+ • C6H6)

Quantity Value Units Method Reference Comment
Δr213.kJ/molRAKGapeev and Dunbar, 2002RCD
Δr259. ± 9.2kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene) + Benzene = (Potassium ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
Δr67.4 ± 7.1kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr78.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr142.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C4H9+ + Benzene = (C4H9+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr92.kJ/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
Δr210.J/mol*KPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M

(C6H6+ • Benzene) + Benzene = (C6H6+ • 2Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr33. ± 2.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr82.8J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M

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

By formula: K+ + C6H6 = (K+ • C6H6)

Quantity Value Units Method Reference Comment
Δr73. ± 4.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr80.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C6H7N+ + Benzene = (C6H7N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr49.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr94.6J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C11H10+ + Benzene = (C11H10+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

C6H5Cl+ + Benzene = (C6H5Cl+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr58.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C9H12+ + Benzene = (C9H12+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr44.4kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

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

By formula: NO- + C6H6 = (NO- • C6H6)

Quantity Value Units Method Reference Comment
Δr172.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+) • Benzene) + Benzene = (Iron ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
Δr187. ± 16.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr253. ± 18.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr203. ± 16.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr147. ± 12.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr155. ± 12.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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 • 4294967295Benzene) + Benzene = CAS Reg. No. 79431-04-2

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

Quantity Value Units Method Reference Comment
Δr90. ± 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+) • Benzene)

By formula: Ni+ + C6H6 = (Ni+ • C6H6)

Quantity Value Units Method Reference Comment
Δr243. ± 11.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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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Paul and Kebarle, 1991
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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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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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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