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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
Deltafgas82.9 ± 0.9kJ/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
Deltafgas82.8kJ/molN/AGood and Smith, 1969Value computed using «DELTA»fHliquid° value of 49.0±0.5 kj/mol from Good and Smith, 1969 and «DELTA»vapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB
Deltafgas82.93 ± 0.50kJ/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Deltafgas79.9kJ/molN/ALandrieu, Baylocq, et al., 1929Value computed using «DELTA»fHliquid° value of 46.0 kj/mol from Landrieu, Baylocq, et al., 1929 and «DELTA»vapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
33.2750.Thermodynamics Research Center, 1997GT
35.11100.
41.94150.
53.17200.
74.55273.15
82.44298.15
83.02300.
113.52400.
139.35500.
160.09600.
176.78700.
190.45800.
201.82900.
211.411000.
219.561100.
226.521200.
232.491300.
237.651400.
242.111500.
250.911750.
257.262000.
261.952250.
265.502500.
268.232750.
270.373000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
93.32 ± 0.06333.15Todd S.S., 1978Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Scott D.W., 1947.; GT
95.81341.60
97.99 ± 0.06348.15
103.98 ± 0.06368.15
105.02370.
104.77371.20
108.8 ± 1.3388.
110.88390.
110.5 ± 1.3393.
113.93402.30
114.29 ± 0.07403.15
115.48410.
117.6 ± 1.3417.
118.8 ± 1.3428.
123.39436.15
123.93 ± 0.07438.15
126.8 ± 1.3463.
132.42471.10
132.94 ± 0.08473.15
131.4 ± 1.3481.
139.47 ± 0.08500.15
145.59 ± 0.09527.15

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
Deltafliquid49. ± 0.9kJ/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
Deltafliquid48.95 ± 0.54kJ/molCcbGood and Smith, 1969ALS
Deltafliquid49.04 ± 0.50kJ/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Deltafliquid46.0kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3267. ± 20.kJ/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
liquid173.26J/mol*KN/AOliver, Eaton, et al., 1948DH
liquid175.3J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 47.49 J/mol*K.; DH
Quantity Value Units Method Reference Comment
solid,1 bar45.56J/mol*KN/AAhlberg, Blanchard, et al., 1937DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
135.69298.15Grolier, Roux-Desgranges, et al., 1993DH
135.9298.5Czarnota, 1991p = 0.1 MPa. Cp values given for the pressure range 0.1 to 68.1 MPa.; DH
135.62298.15Lainez, Rodrigo, et al., 1989DH
134.63298.15Shiohama, Ogawa, et al., 1988DH
135.75298.15Grolier, Roux-Desgranges, et al., 1987DH
134.61293.15Kalali, Kohler, et al., 1987T = 293.15, 313.15 K.; DH
135.707298.15Tanaka, 1987DH
139.9322.05Naziev, Bashirov, et al., 1986T = 322.05, 351.15 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.7915 kJ/kg*K.; DH
137.4303.15Reddy, 1986T = 303.15, 313.15 K.; DH
136.06298.15Ogawa and Murakami, 1985DH
135.718298.15Tanaka, 1985DH
136.24298.15Gorbunova, 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
136.5300.Gorbunova, Grigoriev, et al., 1982T = 280 to 353 K. Data also given by equation.; DH
135.7298.15Grolier, Inglese, et al., 1982T = 298.15 K.; DH
135.74298.15Tanaka, 1982Temperatures 293.15, 298.15, 303.15 K.; DH
135.60298.15Wilhelm, Faradjzadeh, et al., 1982DH
133.6293.15Atalla, El-Sharkawy, et al., 1981DH
135.90298.15Vesely, Zabransky, et al., 1979DH
135.61298.15Grolier, Wilhelm, et al., 1978DH
135.90298.15Vesely, Svoboda, et al., 1977T = 298 to 318 K.; DH
135.60298.15Wilhelm, Grolier, et al., 1977DH
135.76298.15Fortier, Benson, et al., 1976DH
135.760298.15Fortier and Benson, 1976DH
135.7298.15Rajagopal and Subrahmanyam, 1974T = 298.15 to 323.15 K.; DH
134.3298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
135.9298.15Hyder Khan and Subrahmanyam, 1971T = 298; 313 K.; DH
135.9298.Subrahmanyam and Khan, 1969DH
135.4298.Recko, 1968T = 24 to 40°C, equation only.; DH
130.298.Pacor, 1967DH
134.6293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
135.30300.Findenegg, Gruber, et al., 1965DH
134.98298.Rabinovich and Nikolaev, 1962T = 10 to 35°C.; DH
135.1316.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 66°C.; DH
136.4303.Duff and Everett, 1956T = 303 to 353 K.; DH
135.23298.Staveley, Tupman, et al., 1955T = 288 to 347 K.; DH
31.8293.Sieg, Crtzen, et al., 1951DH
136.06298.15Oliver, Eaton, et al., 1948T = 13 to 337 K.; DH
119.295.Tschamler, 1948DH
133.5298.Kurbatov, 1947T = 9 to 80°C, mean Cp, five temperatures.; DH
136.0298.1Zhdanov, 1941T = 8 to 46°C.; DH
135.44298.2Burlew, 1940T = 281 to 353 K.; DH
131.4287.8Kolosovskii and Udovenko, 1934DH
131.4287.8de Kolossowsky and Udowenko, 1933DH
131.4298.15Ferguson and Miller, 1933T = 293 to 323 K. Data calculated from equation.; DH
135.1298.1Richards and Wallace, 1932T = 293 to 333 K.; DH
143.57323.15Fiock, Ginnings, et al., 1931T = 50 to 110°C.; DH
135.1300.0Huffman, Parks, et al., 1930T = 93 to 300 K. Value is unsmoothed experimental datum.; DH
132.2298.Andrews, Lynn, et al., 1926T = -18 to 110°C.; DH
133.1293.2Williams and Daniels, 1925T = 20 to 60°C.; DH
133.9303.Willams and Daniels, 1924T = 303 to 333 K. Equation only.; DH
137.2298.Dejardin, 1919T = 24 to 50°C.; DH
133.5298.von Reis, 1881T = 292 to 364 K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
47.8690.Ahlberg, Blanchard, et al., 1937T = 4 to 93 K.; DH
97.9223.9Aoyama and Kanda, 1935T = 82 to 224 K. Value is unsmoothed experimental datum.; DH
118.4273.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 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, 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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Montgomery J.B., The heat capacity of organic vapors. IV. Benzene, fluorobenzene, toluene, cyclohexane, methylcyclohexane and cyclohexene, J. Am. Chem. Soc., 1942, 64, 2375-2377. [all data]

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Grolier, J.-P.E.; Roux-Desgranges, G.; Berkane, M.; Jimenez, E.; Wilhelm, E., Heat capacities and densities of mixtures of very polar substances 2. Mixtures containing N,N-dimethylformamide, J. Chem. Thermodynam., 1993, 25(1), 41-50. [all data]

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Lainez, A.; Rodrigo, M.M.; Wilhelm, E.; Grolier, J.-P.E., Excess volumes and excess heaat capacitiies of some mixtures with trans,trans,cis-1,5,9-cyclododecatriene at 298.15K, J. Chem. Eng. Data, 1989, 34, 332-335. [all data]

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Shiohama, Y.; Ogawa, H.; Murakami, S.; Fujihara, I., Excess molar isobaric heat capacities and isentropic compressibilities of (cis- or trans-decalin + benzene or toluene or iso-octane or n-heptane) at 298.15 K, J. Chem. Thermodynam., 1988, 20, 1183-1189. [all data]

Grolier, Roux-Desgranges, et al., 1987
Grolier, J.-P.E.; Roux-Desgranges, G.; Kooner, Z.S.; Smith, J.F.; Hepler, L.G., Thermal and volumetric properties of chloroform + benzene mixtures and the ideal associated solution model of complex formation, J. Solution Chem., 1987, 16, 745-752. [all data]

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Kalali, H.; Kohler, F.; Svejda, P., Excess properties of the mixture bis(2-dichlorethyl)ether (chlorex) + 2,2,4-trimethylpentane (isooctane), Monatsh. Chem., 1987, 118, 1-18. [all data]

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Gorbunova, N.I.; Grigoriev, V.A.; Simonov, V.M.; Shipova, V.A., Heat capacity of liquid benzene and hexafluorobenzene at atmospheric pressure, Int. J. Thermophysics, 1982, 3, 1-15. [all data]

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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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Wilhelm, E.; Faradjzadeh, A.; Grolier, J.-P.E., Excess volumes and excess heat capacities of 2,3-dimethylbutane + butane and + toluene, J. Chem. Thermodynam., 1982, 14, 1199-1200. [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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Wilhelm, E.; Grolier, J.-P.E.; Karbalai Ghassemi, M.H., Molar heat capacities of binary liquid mixtures: 1,2-dichloroethane + benzene, + toluene, and + p-xylene, Ber. Bunsenges. Phys. Chem., 1977, 81, 925-930. [all data]

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Fortier, J.-L.; Benson, G.C.; Picker, P., Heat capacities of some organic liquids determined with the Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 289-299. [all data]

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Notes

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