Indane
- Formula: C9H10
- Molecular weight: 118.1757
- IUPAC Standard InChIKey: PQNFLJBBNBOBRQ-UHFFFAOYSA-N
- CAS Registry Number: 496-11-7
- 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, 2,3-dihydro-; Indan; Benzocyclopentane; Hydrindene; Indene, 2,3-dihydro-; 1,2-Hydrindene; 2,3-Dihydroindene; 2,3-Dihydro-1H-indene; Hydrindonaphthene; NSC 5292
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Condensed phase thermochemistry data
Go To: Top, 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.
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 | 2.80 ± 0.43 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB |
ΔfH°liquid | 2.80 ± 0.35 | kcal/mol | Ccb | Good, 1971 | ALS |
ΔfH°liquid | 2.56 ± 0.47 | kcal/mol | Ccb | Stull, Sinke, et al., 1961 | see Stull, Sinke, et al., 1959; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1190.84 ± 0.33 | kcal/mol | Ccb | Good, 1971 | Corresponding ΔfHºliquid = 2.80 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1190.63 ± 0.47 | kcal/mol | Ccb | Stull, Sinke, et al., 1961 | see Stull, Sinke, et al., 1959; Corresponding ΔfHºliquid = 2.59 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 56.011 | cal/mol*K | N/A | Stull, Sinke, et al., 1961 | DH |
S°liquid | 56.009 | 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 |
---|---|---|---|
45.471 | 298.15 | Stull, Sinke, et al., 1961 | T = 15 to 320 K. Premelting occurs at 170 K to melting.; DH |
45.471 | 298.15 | Stull, Sinke, et al., 1959, 2 | T = 15 to 320 K.; DH |
Phase change data
Go To: Top, Condensed phase 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:
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
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 |
---|---|---|---|---|---|
Tboil | 450. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 221.46 | K | N/A | Boord, Perilstein, et al., 1944 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 221.77 | K | N/A | Stull, Sinke, et al., 1959, 3 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 684.9 ± 0.5 | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 684.9 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 684.9 | K | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 39.0 ± 0.4 | atm | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 38.98 | atm | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.30 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 11.7 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 11.8 ± 0.24 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB |
ΔvapH° | 11.7 | kcal/mol | C | Hossenlopp and Scott, 1981 | AC |
ΔvapH° | 11.72 ± 0.048 | kcal/mol | V | Osborn and Scott, 1978 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.472 | 451. | N/A | Majer and Svoboda, 1985 | |
10.5 | 389. | A | Stephenson and Malanowski, 1987 | Based on data from 374. to 466. K.; AC |
10.8 | 370. | N/A | Ambrose and Sprake, 1976 | Based on data from 355. to 482. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
382. to 451. | 15.6 | 0.2866 | 684.9 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.055 | 221.77 | Stull, Sinke, et al., 1959, 2 | DH |
2.1 | 221.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.266 | 221.77 | Stull, Sinke, et al., 1959, 2 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.187 | 73.82 | crystaline, II | crystaline, I | Stull, Sinke, et al., 1961 | DH |
2.055 | 221.77 | crystaline, I | liquid | Stull, Sinke, et al., 1961 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.526 | 73.82 | crystaline, II | crystaline, I | Stull, Sinke, et al., 1961 | DH |
9.266 | 221.77 | crystaline, I | liquid | Stull, Sinke, et al., 1961 | DH |
References
Go To: Top, 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]
Good, 1971
Good, W.D.,
The enthalpies of combustion and formation of indan and seven alkylindans,
J. Chem. Thermodyn., 1971, 3, 711-717. [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]
Boord, Perilstein, et al., 1944
Boord, C.E.; Perilstein, W.L.; Greenlee, K.W.,
, Am. Pet. Inst. Hydrocarbon Res. Proj., Sixth Annu. Ref., Ohio State Univ., Aug. 31, 1944. [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]
Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D.,
Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons,
J. Chem. Eng. Data, 1995, 40, 547-558. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Ambrose, Broderick, et al., 1974
Ambrose, D.; Broderick, B.E.; Townsend, R.,
The Critical Temperatures and Pressures of Thirty Organic Compounds,
J. Appl. Chem. Biotechnol., 1974, 24, 359. [all data]
Hossenlopp and Scott, 1981
Hossenlopp, I.A.; Scott, D.W.,
Vapor heat capacities and enthalpies of vaporization of four aromatic and/or cycloalkane hydrocarbons,
J. Chem. Thermodyn., 1981, 13, 423-428. [all data]
Osborn and Scott, 1978
Osborn, A.G.; Scott, D.W.,
J. Chem. Thermodyn., 1978, 10, 619. [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]
Ambrose and Sprake, 1976
Ambrose, D.; Sprake, C.H.S.,
The vapour pressure of indane,
The Journal of Chemical Thermodynamics, 1976, 8, 6, 601-602, https://doi.org/10.1016/0021-9614(76)90033-1
. [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, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid 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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