Indene
- Formula: C9H8
- Molecular weight: 116.1598
- 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
The 3d structure may be viewed using Java or Javascript. - Other names: 1H-Indene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°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 |
29.431 | 298.15 | ||
29.630 | 300. | ||
35.074 | 350. | ||
40.182 | 400. | ||
44.871 | 450. | ||
49.065 | 500. | ||
52.839 | 550. | ||
56.197 | 600. | ||
59.218 | 650. | ||
61.922 | 700. |
Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 26.43 ± 0.43 | 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 |
ΔfH°liquid | 26.4 ± 0.3 | kcal/mol | Ccb | Stull, Sinke, et al., 1961 | see Stull, Sinke, et al., 1959; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1146.15 ± 0.30 | kcal/mol | Ccb | Stull, Sinke, et al., 1961 | see Stull, Sinke, et al., 1959; Corresponding ΔfHºliquid = 26.43 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 51.190 | cal/mol*K | N/A | Stull, Sinke, et al., 1961 | DH |
S°liquid | 51.470 | cal/mol*K | N/A | Stull, Sinke, et al., 1959, 2 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.680 | 298.15 | Stull, Sinke, et al., 1961 | T = 15 to 320 K.; DH |
44.680 | 298.15 | Stull, Sinke, et al., 1959, 2 | T = 15 to 320 K.; DH |
Phase change 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:
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 |
---|---|---|---|---|---|
Tboil | 454. ± 4. | K | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 271.4 | K | N/A | Kravchenko and Pastukhova, 1953 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 270.48 | K | N/A | Anonymous, 1943 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 271.70 | K | N/A | Stull, Sinke, et al., 1959, 3 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 12.1 ± 0.36 | 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 |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.8 | 384. | A | Stephenson and Malanowski, 1987 | Based on data from 369. to 457. K.; AC |
10.4 | 304. | A | Stephenson and Malanowski, 1987 | Based on data from 289. to 455. K. See also Stull, 1947.; AC |
10.5 | 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 (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
289.6 to 454.8 | 5.32943 | 2511.452 | 16.524 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.4381 | 271.70 | Stull, Sinke, et al., 1961 | DH |
2.4381 | 271.70 | Stull, Sinke, et al., 1959, 2 | DH |
2.44 | 271.7 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.975 | 271.70 | Stull, Sinke, et al., 1959, 2 | DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]
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]
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
Stull, D.R.; Sinke, G.C.; McDonald, R.A.; Hatton, W.E.; Hildenbrand, D.L.,
Thermodynamic properties of indane and indene,
Symposium uber Thermodynamik, 1959, 1-9. [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]
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, 3
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]
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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