Indene

Formula: C₉H₈
Molecular weight: 116.1598
IUPAC Standard InChI: InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
IUPAC Standard InChIKey: YBYIRNPNPLQARY-UHFFFAOYSA-N
CAS Registry Number: 95-13-6
Chemical structure:
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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

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	161.2 ± 2.3	kJ/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

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
100.86	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
123.14	298.15
123.97	300.
146.75	350.
168.12	400.
187.74	450.
205.29	500.
221.08	550.
235.13	600.
247.77	650.
259.08	700.

Phase change data

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Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
T_boil	454. ± 4.	K	AVG	N/A	Average of 11 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	271.4	K	N/A	Kravchenko and Pastukhova, 1953	Uncertainty assigned by TRC = 0.5 K; TRC
T_fus	270.48	K	N/A	Anonymous, 1943	Uncertainty assigned by TRC = 0.3 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	271.70	K	N/A	Stull, Sinke, et al., 1959	Uncertainty assigned by TRC = 0.02 K; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	50.6 ± 1.5	kJ/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

Enthalpy of vaporization

Δ_vapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
45.3	384.	A	Stephenson and Malanowski, 1987	Based on data from 369. to 457. K.; AC
43.6	304.	A	Stephenson and Malanowski, 1987	Based on data from 289. to 455. K. See also Stull, 1947.; AC
43.9	392.	N/A	Burchfield, 1942	Based on data from 329. to 454. K.; AC

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)

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Temperature (K)	A	B	C	Reference	Comment
289.6 to 454.8	5.33514	2511.452	16.524	Stull, 1947	Coefficents calculated by NIST from author's data.

Enthalpy of fusion

Δ_fusH (kJ/mol)	Temperature (K)	Reference	Comment
10.201	271.70	Stull, Sinke, et al., 1961	DH
10.201	271.70	Stull, Sinke, et al., 1959, 2	DH
10.2	271.7	Domalski and Hearing, 1996	AC

Entropy of fusion

Δ_fusS (J/mol*K)	Temperature (K)	Reference	Comment
37.55	271.70	Stull, Sinke, et al., 1959, 2	DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

References

Go To: Top, Gas phase thermochemistry data, Phase change 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]

Kravchenko and Pastukhova, 1953
Kravchenko, V.M.; Pastukhova, I.S., Ternary systems of indene+isoquinoline+naphthalene and naphthalene + isoquinoline+benzene, Zh. Fiz. Khim., 1953, 27, 822. [all data]

Anonymous, 1943
Anonymous, R., , Sunbury Rep. No. 2176, Anglo-Iranian Oil Co., 1943. [all data]

Stull, Sinke, et al., 1959
Stull, D.R.; Sinke, G.C.; McDonald, R.A.; Hatton, W.E.; Hildenbrand, D.L., Thermodynamic properties of indane and indene in Symp. Thermodyn. Fritens-Wattens, Tirol, Austria, 1959. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Burchfield, 1942
Burchfield, P.E., Vapor Pressures of Indene, Styrene and Dicyclopentadiene, J. Am. Chem. Soc., 1942, 64, 10, 2501-2501, https://doi.org/10.1021/ja01262a504 . [all data]

Stull, Sinke, et al., 1961
Stull, D.R.; Sinke, G.C.; McDonald, R.A.; Hatton, W.E.; Hildenbrand, D.L., Thermodynamic properties of indane and indene, Pure & Appl. Chem., 1961, 2, 315-322. [all data]

Stull, Sinke, et al., 1959, 2
Stull, D.R.; Sinke, G.C.; McDonald, R.A.; Hatton, W.E.; Hildenbrand, D.L., Thermodynamic properties of indane and indene, Symp. Thermodynam. Fritens-Wattens, Tirol Austria, 1959, No. 48, 9p. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Notes

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Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
T_boil	Boiling point
T_fus	Fusion (melting) point
T_triple	Triple point temperature
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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