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Acenaphthene

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Gas phase 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:
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
Deltafgas156.8 ± 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
Deltafgas156. ± 4.kJ/molCcbBoyd, Christensen, et al., 1965ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
38.7250.Dorofeeva O.V., 1989GT
55.21100.
77.31150.
103.81200.
147.01273.15
162.2 ± 1.0298.15
163.27300.
220.85400.
269.56500.
308.84600.
340.46700.
366.25800.
387.56900.
405.371000.
420.361100.
433.081200.
443.921300.
453.211400.
461.211500.

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
Deltafsolid72. ± 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
Deltafsolid70. ± 3.kJ/molCcbBoyd, Christensen, et al., 1965ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6222. ± 3.kJ/molCcbBoyd, Christensen, et al., 1965Corresponding «DELTA»fsolid = 70.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar188.87J/mol*KN/AFinke, Messerly, et al., 1977DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
190.37298.15Finke, Messerly, et al., 1977T = 10 to 440 K.; DH
185.8298.Sadowska, Stepniewska, et al., 1969T = 20 to 93°C, equation only; liquid, 93 to 200°C, equation only.; DH
210.5298.1Eibert, 1944T = 25 to 200°C, equations only in t°C. Cp(c) = 0.2756 + 0.001854t cal/g*K (25 to 60°C); Cp(liq) = 0.409 + 0.000598t cal/g*K (95 to 200°C).; DH

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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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

C12H10+ + Acenaphthene = (C12H10+ bullet Acenaphthene)

By formula: C12H10+ + C12H10 = (C12H10+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar71.1kJ/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
34.283.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C12H8+ + Acenaphthene = (C12H8+ bullet Acenaphthene)

By formula: C12H8+ + C12H10 = (C12H8+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar59.4kJ/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
26.283.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C12H11+ + Acenaphthene = (C12H11+ bullet Acenaphthene)

By formula: C12H11+ + C12H10 = (C12H11+ bullet C12H10)

Quantity Value Units Method Reference Comment
Deltar61.9kJ/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
23.330.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C12H9- + Hydrogen cation = Acenaphthene

By formula: C12H9- + H+ = C12H10

Quantity Value Units Method Reference Comment
Deltar1559. ± 10.kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; acenaphthene: 1,8-(1,2-ethano)naphthalene; B
Quantity Value Units Method Reference Comment
Deltar1531. ± 8.4kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; acenaphthene: 1,8-(1,2-ethano)naphthalene; B

C6H7N+ + Acenaphthene = (C6H7N+ bullet Acenaphthene)

By formula: C6H7N+ + C12H10 = (C6H7N+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar73.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

2Hydrogen + Acenaphthene = hexahydroacenaphthylene

By formula: 2H2 + C12H10 = hexahydroacenaphthylene

Quantity Value Units Method Reference Comment
Deltar-110.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]

Boyd, Christensen, et al., 1965
Boyd, R.H.; Christensen, R.L.; Pua, R., The heats of combustion of acenaphthene, acenaphthylene, and fluoranthene. Strain and delocalization in bridged naphthalenes, J. Am. Chem. Soc., 1965, 87, 3554-3559. [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]

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]

Sadowska, Stepniewska, et al., 1969
Sadowska, K.W.; Stepniewska, G.B.; Recko, W.M., Specific heat and enthalpy of fusion of acenaphthene and acenaphthylene, Przem. Chem., 1969, 48, 282-285. [all data]

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

Meot-ner and Kafafi, 1988
Meot-ner, M.; Kafafi, S.A., Carbon Acidities of Aromatic Compounds, J. Am. Chem. Soc., 1988, 110, 19, 6297, https://doi.org/10.1021/ja00227a003 . [all data]

Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [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