Benzene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
ΔfH°gas19.8 ± 0.2kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
ΔfH°gas19.8kcal/molN/AGood and Smith, 1969Value computed using ΔfHliquid° value of 49.0±0.5 kj/mol from Good and Smith, 1969 and ΔvapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB
ΔfH°gas19.82 ± 0.12kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
ΔfH°gas19.1kcal/molN/ALandrieu, Baylocq, et al., 1929Value computed using ΔfHliquid° value of 46.0 kj/mol from Landrieu, Baylocq, et al., 1929 and ΔvapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.95250.Thermodynamics Research Center, 1997GT
8.391100.
10.02150.
12.71200.
17.82273.15
19.70298.15
19.84300.
27.132400.
33.305500.
38.262600.
42.251700.
45.519800.
48.236900.
50.5281000.
52.4761100.
54.1401200.
55.5661300.
56.8001400.
57.8661500.
59.9691750.
61.4872000.
62.6082250.
63.4562500.
64.1092750.
64.6203000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
22.30 ± 0.01333.15Todd S.S., 1978Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Scott D.W., 1947.; GT
22.90341.60
23.42 ± 0.01348.15
24.85 ± 0.01368.15
25.100370.
25.041371.20
26.00 ± 0.30388.
26.501390.
26.40 ± 0.30393.
27.230402.30
27.32 ± 0.02403.15
27.600410.
28.10 ± 0.30417.
28.40 ± 0.30428.
29.491436.15
29.62 ± 0.02438.15
30.30 ± 0.30463.
31.649471.10
31.77 ± 0.02473.15
31.40 ± 0.30481.
33.33 ± 0.02500.15
34.80 ± 0.02527.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
ΔfH°liquid12. ± 0.2kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
ΔfH°liquid11.70 ± 0.13kcal/molCcbGood and Smith, 1969ALS
ΔfH°liquid11.72 ± 0.12kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
ΔfH°liquid11.0kcal/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
ΔcH°liquid-781. ± 4.kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
S°liquid41.410cal/mol*KN/AOliver, Eaton, et al., 1948DH
S°liquid41.90cal/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 47.49 J/mol*K.; DH
Quantity Value Units Method Reference Comment
S°solid,1 bar10.89cal/mol*KN/AAhlberg, Blanchard, et al., 1937DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
32.431298.15Grolier, Roux-Desgranges, et al., 1993DH
32.48298.5Czarnota, 1991p = 0.1 MPa. Cp values given for the pressure range 0.1 to 68.1 MPa.; DH
32.414298.15Lainez, Rodrigo, et al., 1989DH
32.177298.15Shiohama, Ogawa, et al., 1988DH
32.445298.15Grolier, Roux-Desgranges, et al., 1987DH
32.173293.15Kalali, Kohler, et al., 1987T = 293.15, 313.15 K.; DH
32.4348298.15Tanaka, 1987DH
33.44322.05Naziev, Bashirov, et al., 1986T = 322.05, 351.15 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.7915 kJ/kg*K.; DH
32.84303.15Reddy, 1986T = 303.15, 313.15 K.; DH
32.519298.15Ogawa and Murakami, 1985DH
32.4374298.15Tanaka, 1985DH
32.562298.15Gorbunova, Simonov, et al., 1983T = 283.78 to 348.47 K. Cp = 1.3943 - 5.857x10-4T + 5.89x10-6T2 kJ/kg*K. Cp value calculated from equation.; DH
32.62300.Gorbunova, Grigoriev, et al., 1982T = 280 to 353 K. Data also given by equation.; DH
32.43298.15Grolier, Inglese, et al., 1982T = 298.15 K.; DH
32.443298.15Tanaka, 1982Temperatures 293.15, 298.15, 303.15 K.; DH
32.409298.15Wilhelm, Faradjzadeh, et al., 1982DH
31.93293.15Atalla, El-Sharkawy, et al., 1981DH
32.481298.15Vesely, Zabransky, et al., 1979DH
32.412298.15Grolier, Wilhelm, et al., 1978DH
32.481298.15Vesely, Svoboda, et al., 1977T = 298 to 318 K.; DH
32.409298.15Wilhelm, Grolier, et al., 1977DH
32.447298.15Fortier, Benson, et al., 1976DH
32.4474298.15Fortier and Benson, 1976DH
32.43298.15Rajagopal and Subrahmanyam, 1974T = 298.15 to 323.15 K.; DH
32.10298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
32.48298.15Hyder Khan and Subrahmanyam, 1971T = 298; 313 K.; DH
32.48298.Subrahmanyam and Khan, 1969DH
32.36298.Recko, 1968T = 24 to 40°C, equation only.; DH
31.1298.Pacor, 1967DH
32.17293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
32.337300.Findenegg, Gruber, et al., 1965DH
32.261298.Rabinovich and Nikolaev, 1962T = 10 to 35°C.; DH
32.29316.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 66°C.; DH
32.60303.Duff and Everett, 1956T = 303 to 353 K.; DH
32.321298.Staveley, Tupman, et al., 1955T = 288 to 347 K.; DH
7.60293.Sieg, Crtzen, et al., 1951DH
32.519298.15Oliver, Eaton, et al., 1948T = 13 to 337 K.; DH
28.4295.Tschamler, 1948DH
31.91298.Kurbatov, 1947T = 9 to 80°C, mean Cp, five temperatures.; DH
32.50298.1Zhdanov, 1941T = 8 to 46°C.; DH
32.371298.2Burlew, 1940T = 281 to 353 K.; DH
31.41287.8Kolosovskii and Udovenko, 1934DH
31.41287.8de Kolossowsky and Udowenko, 1933DH
31.41298.15Ferguson and Miller, 1933T = 293 to 323 K. Data calculated from equation.; DH
32.29298.1Richards and Wallace, 1932T = 293 to 333 K.; DH
34.314323.15Fiock, Ginnings, et al., 1931T = 50 to 110°C.; DH
32.29300.0Huffman, Parks, et al., 1930T = 93 to 300 K. Value is unsmoothed experimental datum.; DH
31.60298.Andrews, Lynn, et al., 1926T = -18 to 110°C.; DH
31.81293.2Williams and Daniels, 1925T = 20 to 60°C.; DH
32.00303.Willams and Daniels, 1924T = 303 to 333 K. Equation only.; DH
32.79298.Dejardin, 1919T = 24 to 50°C.; DH
31.91298.von Reis, 1881T = 292 to 364 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
11.4490.Ahlberg, Blanchard, et al., 1937T = 4 to 93 K.; DH
23.4223.9Aoyama and Kanda, 1935T = 82 to 224 K. Value is unsmoothed experimental datum.; DH
28.30273.Maass and Walbauer, 1925T = 93 to 273 K.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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
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
ΔrH°6.00 ± 0.46kcal/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
ΔrH°9.4 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°9.90kcal/molIMRELarson and McMahon, 1984gas phase; B,M
ΔrH°8.7kcal/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
ΔrH°10.4kcal/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°17.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°17.cal/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
ΔrS°17.1cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
ΔrS°22.cal/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°4.0 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°3.8 ± 1.6kcal/molIMREChowdhury and Kebarle, 1986gas phase; B
ΔrG°4.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
ΔrG°3.80kcal/molIMREFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.6300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
3.8300.PHPMSChowdhury and Kebarle, 1986gas phase; M
3.8300.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
ΔrH°401.22 ± 0.50kcal/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
ΔrH°401.16 ± 0.21kcal/molD-EAGunion, Gilles, et al., 1992gas phase; B
ΔrH°400.7 ± 2.5kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
ΔrH°401. ± 10.kcal/molCIDTGraul and Squires, 1990gas phase; B
ΔrH°398.0 ± 5.6kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°392.40 ± 0.40kcal/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
ΔrG°390.9 ± 2.0kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
ΔrG°390.1 ± 6.5kcal/molIMRBBartmess and McIver Jr., 1979gas phase; B
ΔrG°389.2 ± 5.5kcal/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
ΔrH°14. ± 8.kcal/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°28.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
ΔrS°27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
ΔrS°23.cal/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
ΔrH°38.5 ± 3.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°37.9kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
ΔrH°36.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
ΔrS°27.5cal/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
ΔrG°29.7kcal/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
ΔrH°9.0 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°17.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°17.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°2.5 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; B
ΔrG°3.9 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

Free energy of reaction

ΔrG° (kcal/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
ΔrH°20. ± 1.kcal/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
ΔrH°22.8 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°21.1 ± 1.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°21.1 ± 1.1kcal/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°28.0kcal/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°31.2cal/mol*KHPMSGuo, Purnell, et al., 1990gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.7298.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
ΔrH°11.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.6331.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
ΔrH°12.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°4.6kcal/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
ΔrH°10.0kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°2.2kcal/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
ΔrH°8.kcal/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0252.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
ΔrH°39.9 ± 3.3kcal/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
ΔrS°27.8cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
39.9 (+3.2,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M
27.0 (+1.0,-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
ΔrH°12.2kcal/molMPIErnstberger, Krause, et al., 1990gas phase; M
ΔrH°5.5kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
ΔrH°12.4kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/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
ΔrH°21.kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.7491.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
ΔrH°14.4kcal/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
ΔrS°30.1cal/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
ΔrH°11.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°26.3cal/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
ΔrH°12.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°21.4cal/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
ΔrH°6.1 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°9.1 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°14.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.8 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

C3H3+ + Benzene = (C3H3+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°9.0kcal/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°9.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°6.kcal/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
ΔrH°12.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°29.4cal/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
ΔrH°7.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/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
ΔrH°12.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°33.7cal/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
ΔrH°40.2kcal/molMIDLin, Chen, et al., 1997RCD
ΔrH°39.2 ± 3.3kcal/molRAKLin and Dunbar, 1997RCD
ΔrH°40.6 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
40.6 (+2.3,-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
ΔrH°13.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°26.1cal/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
ΔrH°18.1kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°29.9cal/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
ΔrH°13.4kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°24.3cal/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
ΔrH°12.6kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°27.6cal/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
ΔrH°16.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°27.1cal/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
ΔrH°50.7 ± 9.1kcal/molRAKLin and Dunbar, 1997RCD
ΔrH°55.4 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
55.3 (+4.4,-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
ΔrH°15.30kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°19.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°9.40kcal/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
ΔrH°34.4kcal/molMIDLin, Chen, et al., 1997RCD
ΔrH°31.8 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
31.8 (+2.1,-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
ΔrH°>55.kcal/molRAKGapeev and Dunbar, 2002RCD
ΔrH°55.9 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
55.8 (+2.3,-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
ΔrH°47.1kcal/molRAKGapeev and Dunbar, 2002RCD
ΔrH°49.5 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
49.6 (+2.3,-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
ΔrH°50.9kcal/molRAKGapeev and Dunbar, 2002RCD
ΔrH°61.9 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
61.8 (+2.1,-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
ΔrH°16.1 ± 1.7kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°18.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°33.9cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C4H9+ + Benzene = (C4H9+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°22.kcal/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
ΔrS°49.cal/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
ΔrH°7.8 ± 0.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°19.8cal/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
ΔrH°17.5 ± 0.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°19.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.6cal/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
ΔrH°11.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°22.6cal/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
ΔrH°9.0kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.0cal/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
ΔrH°14.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/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
ΔrH°10.6kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/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
ΔrH°41.1kcal/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
ΔrH°44.7 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
44.7 (+3.9,-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
ΔrH°60.5 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
60.4 (+4.4,-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
ΔrH°48.5 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
48.4 (+3.9,-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
ΔrH°35.1 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
35.1 (+2.8,-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
ΔrH°37.0 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
37.1 (+2.8,-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
ΔrH°21.5 ± 4.2kcal/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
ΔrH°58.1 ± 2.6kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
58.1 (+2.5,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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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Grolier, J.-P.E.; Inglese, A.; Wilhelm, E., Excess volumes and excess heat capacities of tetrachloroethene + cyclohexane, + methylcyclohexane, + benzene, and + toluene at 298.15 K, J. Chem. Thermodynam., 1982, 14, 523-529. [all data]

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Tanaka, R., Determination of excess heat capacities of (benzene + tetrachloromethane and + cyclohexane) between 293.15 and 303.15 K by use of a Picker flow calorimeter, J. Chem. Thermodynam., 1982, 14, 259-268. [all data]

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Grolier, J.-P.E.; Wilhelm, E.; Hamedi, M.H., Molar heat capacities and isothermal compressibility of binary liquid mixtures: carbon tetrachloride + benzene, carbon tetrachloride + cyclohexane and benzene + cyclohexane, Ber. Bunsenges. Phys. Chem., 1978, 82, 1282-1290. [all data]

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Notes

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