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Biphenylene

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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
Deltafgas99.71 ± 0.45kcal/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafgas100.48 ± 0.46kcal/molCcbDouslin, Scott, et al., 1976see Good, 1978; ALS
Deltafgas105.2kcal/molN/ABedford, Carey, et al., 1962Value computed using «DELTA»fHsolid° value of 353.0 kj/mol from Bedford, Carey, et al., 1962 and «DELTA»subH° value of 87.0 kj/mol from Douslin, Scott, et al., 1976.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.3650.Thermodynamics Research Center, 1997p=1 bar.; GT
14.89100.
19.74150.
25.387200.
34.775273.15
38.074298.15
38.317300.
50.74400.
61.11500.
69.41600.
76.00700.
81.36800.
85.76900.
89.391000.
92.471100.
95.121200.
97.281300.
99.191400.
100.91500.

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

Quantity Value Units Method Reference Comment
Deltafsolid79.68 ± 0.43kcal/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafsolid79.68 ± 0.26kcal/molCcbDouslin, Scott, et al., 1976crystal phase; see Good, 1978; ALS
Deltafsolid84.4kcal/molCcbBedford, Carey, et al., 1962ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1481.56 ± 0.22kcal/molCcbDouslin, Scott, et al., 1976crystal phase; see Good, 1978; Corresponding «DELTA»fsolid = 79.69 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-1486.3 ± 0.7kcal/molCcbBedford, Carey, et al., 1962Corresponding «DELTA»fsolid = 84.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-1481.4 ± 2.5kcal/molCcbCass, Springall, et al., 1955Corresponding «DELTA»fsolid = 79.5 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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.

Individual Reactions

C10H8+ + Biphenylene = (C10H8+ bullet Biphenylene)

By formula: C10H8+ + C12H8 = (C10H8+ bullet C12H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar15.9kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.2309.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

C12H9+ + Biphenylene = (C12H9+ bullet Biphenylene)

By formula: C12H9+ + C12H8 = (C12H9+ bullet C12H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Deltar29.cal/mol*KPHPMSMeot-Ner (Mautner), 1980gas phase

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.9277.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

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.

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Douslin, Scott, et al., 1976
Douslin, D.R.; Scott, D.W.; Good, W.D.; Osborn, A.G., Thermodynamic properties of organic compounds and thermodynamic properties of fluids, Gov. Rep. Announce. Index U.S., 1976, 76, 97. [all data]

Good, 1978
Good, W.D., The enthalpies of formation of some bridged-ring polynuclear aromatic hydrocarbons, J. Chem. Thermodyn., 1978, 10, 553-558. [all data]

Bedford, Carey, et al., 1962
Bedford, A.F.; Carey, J.G.; Millar, I.T.; Mortimer, C.T.; Springall, H.D., Heats of combustion and molecular structure. Part VIII. Biphenylene, J. Chem. Soc., 1962, 3895-3898. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Cass, Springall, et al., 1955
Cass, R.C.; Springall, H.D.; Quincey, P.G., Heats of combustion and molecular structure. Part III. Diphenylene, J. Chem. Soc., 1955, 1188-1190. [all data]

Meot-Ner (Mautner), 1980
Meot-Ner (Mautner), M., Dimer Cations of Polycyclic Aromatics: Experimental Bonding Energies and Resonance Stabilization, J. Phys. Chem., 1980, 84, 21, 2724, https://doi.org/10.1021/j100458a012 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References