- Formula: C9H8
- Molecular weight: 116.1598
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: YBYIRNPNPLQARY-UHFFFAOYSA-N
- CAS Registry Number: 95-13-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 1H-Indene
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Reaction thermochemistry data
Go To: Top, 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
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.
By formula: C9H7- + H+ = C9H8
|rH°||354.3 ± 2.5||kcal/mol||TDEq||Meot-ner, Liebman, et al., 1988||gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B|
|rH°||351.9 ± 2.1||kcal/mol||G+TS||Taft and Bordwell, 1988||gas phase; B|
|rG°||346.7 ± 2.0||kcal/mol||TDEq||Meot-ner, Liebman, et al., 1988||gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B|
|rG°||344.6 ± 2.0||kcal/mol||IMRE||Taft and Bordwell, 1988||gas phase; B|
By formula: H2 + C9H8 = C9H10
|rH°||-23.63 ± 0.33||kcal/mol||Chyd||Hill, Morton, et al., 1980||liquid phase; ALS|
|rH°||-23.||kcal/mol||Eqk||Frye and Weitkamp, 1969||gas phase; ALS|
|rH°||-21.63 ± 0.14||kcal/mol||Eqk||Naidus and Mueller, 1950||gas phase; At 375-525 K; ALS|
8 + 2 = +
By formula: 8H2 + 2C9H8 = C9H16 + C9H16
|rH°||-139.9 ± 1.0||kcal/mol||Chyd||Dolliver, Gresham, et al., 1937||gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -140.4 ± 1.0 kcal/mol; At 355 °K; ALS|
Go To: Top, Reaction thermochemistry data, Notes
Meot-ner, Liebman, et al., 1988
Meot-ner, M.; Liebman, J.F.; Kafafi, S.A., Ionic Probes of Aromaticity in Annelated Rings, J. Am. Chem. Soc., 1988, 110, 18, 5937, https://doi.org/10.1021/ja00226a001 . [all data]
Kiefer, Zhang, et al., 1997
Kiefer, J.H.; Zhang, Q.; Kern, R.D.; Yao, J.; Jursic, B., Pyrolysis of Aromatic Azines: Pyrazine, Pyrimidine, and Pyridine, J. Phys. Chem. A, 1997, 101, 38, 7061, https://doi.org/10.1021/jp970211z . [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]
Hill, Morton, et al., 1980
Hill, R.K.; Morton, G.H.; Rogers, D.W.; Choi, L.S., Rearrangement of 1,1'-spirobiindene and thermochemical evidence for its spiroconjugative destabilization, J. Org. Chem., 1980, 45, 5163-5166. [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]
Naidus and Mueller, 1950
Naidus, E.S.; Mueller, M.B., Equilibrium studies on the hydrindene-indene-hydrogen system, J. Am. Chem. Soc., 1950, 72, 1829-1831. [all data]
Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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