- Formula: C9H8
- Molecular weight: 116.1598
- IUPAC Standard InChI:
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- 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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Gas phase thermochemistry data
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Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
|fH°gas||38.53 ± 0.55||kcal/mol||Review||Roux, Temprado, et al., 2008||There 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|
Constant pressure heat capacity of gas
|Cp,gas (cal/mol*K)||Temperature (K)||Reference||Comment|
|24.106||250.||Klots T.D., 1995||Recommended S(T) and Cp(T) values are based on experimental assignment of vibrational spectra and they agree within 1.2 J/mol*K with values calculated using statistical mechanics and the vibrational frequencies estimated from force field approximation for polycyclic aromatic hydrocarbons [ Dorofeeva O.V., 1986].; GT|
Go To: Top, Gas phase thermochemistry data, Notes
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]
Klots T.D., 1995
Klots T.D., Vibrational spectra of indene. Part 4. Calibration, assignment, and ideal gas thermodynamics, Spectrochim. Acta, 1995, A51, 2307-2324. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V., Thermodynamic properties of twenty-one monocyclic hydrocarbons, J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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