Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Fluorene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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
Deltafgas176.7 ± 3.1kJ/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
Deltafgas175.0 ± 1.5kJ/molCcrRakus, Verevkin, et al., 1994ALS
Deltafgas166.9 ± 4.1kJ/molCcbSabbah, 1991see Sabbah and Antipine, 1987; ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
39.6550.Dorofeeva O.V., 1989Recommended values are also reproduced in the reference book [ Frenkel M., 1994]. These statistically calculated S(T) values agree with experimental ones within 1 J/mol*K.; GT
57.90100.
81.47150.
109.90200.
156.72273.15
173.1 ± 1.0298.15
174.31300.
236.02400.
287.48500.
328.52600.
361.28700.
387.83800.
409.68900.
427.891000.
443.211100.
456.171200.
467.221300.
476.681400.
484.831500.

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
Deltafsolid90.2 ± 2.8kJ/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
Deltafsolid89.9 ± 1.4kJ/molCcrRakus, Verevkin, et al., 1994ALS
Deltafsolid86.7 ± 4.1kJ/molCcbSabbah, 1991see Sabbah and Antipine, 1987; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6634.6 ± 1.1kJ/molCcrRakus, Verevkin, et al., 1994Corresponding «DELTA»fsolid = 89.85 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-6631.5 ± 4.0kJ/molCcbSabbah, 1991see Sabbah and Antipine, 1987; Corresponding «DELTA»fsolid = 86.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar207.32J/mol*KN/AFinke, Messerly, et al., 1977crystaline, I phase; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
203.13298.15Finke, Messerly, et al., 1977crystaline, I phase; T = 10 to 440 K.; DH
189.5298.1Eibert, 1944T = 25 to 200°C, equations only, in t°C. Cp(c) = 0.2479 + 0.001233t cal/g*K (25 to 70°C); Cp(liq) = 0.320 + 0.00845t cal/g*K (114 to 200°C).; 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C13H9- + Hydrogen cation = Fluorene

By formula: C13H9- + H+ = C13H10

Quantity Value Units Method Reference Comment
Deltar1466. ± 8.4kJ/molD-EARömer, Janaway, et al., 1997gas phase; B
Deltar1472. ± 8.8kJ/molG+TSTaft and Bordwell, 1988gas phase; B
Deltar1478. ± 11.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1434. ± 8.8kJ/molH-TSRömer, Janaway, et al., 1997gas phase; B
Deltar1439. ± 8.4kJ/molIMRETaft and Bordwell, 1988gas phase; B
Deltar1446. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

C10H8+ + Fluorene = (C10H8+ bullet Fluorene)

By formula: C10H8+ + C13H10 = (C10H8+ bullet C13H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar61.1kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

C12H8+ + Fluorene = (C12H8+ bullet Fluorene)

By formula: C12H8+ + C13H10 = (C12H8+ bullet C13H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar55.6kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

C13H10+ + Fluorene = (C13H10+ bullet Fluorene)

By formula: C13H10+ + C13H10 = (C13H10+ bullet C13H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar69.0kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

C13H11+ + Fluorene = (C13H11+ bullet Fluorene)

By formula: C13H11+ + C13H10 = (C13H11+ bullet C13H10)

Quantity Value Units Method Reference Comment
Deltar60.2kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar26.kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

3Hydrogen + Fluorene = Fluorene, 1,2,3,4,4a,9a-hexahydro-, cis-

By formula: 3H2 + C13H10 = C13H16

Quantity Value Units Method Reference Comment
Deltar-180.kJ/molEqkFrye and Weitkamp, 1969gas phase; ALS

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]

Rakus, Verevkin, et al., 1994
Rakus, K.; Verevkin, S.P.; Schatzer, J.; Beckhaus, H.-D.; Ruchardt, C., Thermochemistry and thermal decomposition of 9,9'-bifluorenyl and 9,9'-dimethyl-9,9'-bifluorenyl - the stabilization energy of 9-fluorenyl radicals, Chem. Ber., 1994, 127, 1095-1103. [all data]

Sabbah, 1991
Sabbah, R., Thermodynamic study of fluorene and dibenzofuran, Bull. Soc. Chim. Fr., 1991, 128, 350. [all data]

Sabbah and Antipine, 1987
Sabbah, R.; Antipine, I., Thermodynamic study on four polycycles. Relationship between their energy values and their structure, Bull. Soc. Chim. Fr., 1987, 392-400. [all data]

Dorofeeva O.V., 1989
Dorofeeva O.V., Thermodynamic Properties of Gaseous Polycyclic Aromatic Hydrocarbons Containing Five-Membered Rings. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-263 (in Russian), Moscow, 1989. [all data]

Frenkel M., 1994
Frenkel M., Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]

Finke, Messerly, et al., 1977
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937-956. [all data]

Eibert, 1944
Eibert, J., Thesis Washington University (St. Louis), 1944. [all data]

Römer, Janaway, et al., 1997
Römer, B.; Janaway, G.; Brauman, J.I., Cyclopentadienyl, Indenyl, and Fluorenyl Anions: Gas-Phase and Solvation Energy Contributions to Electron Detachment Energies, J. Am. Chem. Soc., 1997, 119, 9, 2249, https://doi.org/10.1021/ja961947x . [all data]

Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G., Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase, Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005 . [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [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]

Frye and Weitkamp, 1969
Frye, C.G.; Weitkamp, A.W., Equilibrium hydrogenations of multi-ring aromatics, J. Chem. Eng. Data, 1969, 14, 372-376. [all data]


Notes

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