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Indane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
Deltafgas14.6 ± 0.50kcal/molReviewRoux, Temprado, et al., 2008There 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
Deltafgas14.5 ± 0.36kcal/molN/AGood, 1971Value computed using «DELTA»fHliquid° value of 11.7±1.5 kj/mol from Good, 1971 and «DELTA»vapH° value of 49.03±0.2 kj/mol from missing citation.; DRB
Deltafgas14.3 ± 0.48kcal/molN/AStull, Sinke, et al., 1961Value computed using «DELTA»fHliquid° value of 10.7±2 kj/mol from Stull, Sinke, et al., 1961 and «DELTA»vapH° value of 49.03±0.2 kj/mol from missing citation.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.28550.Dorofeeva O.V., 1989GT
12.05100.
15.59150.
20.16200.
28.279273.15
31.25 ± 0.24298.15
31.470300.
43.059400.
53.040500.
61.166600.
67.768700.
73.198800.
77.725900.
81.5341000.
84.7661100.
87.5171200.
89.8731300.
91.9001400.
93.6471500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
46.281 ± 0.093435.65Hossenlopp I.A., 1981GT
47.598 ± 0.093448.15
50.005 ± 0.093473.15
52.390 ± 0.093498.15
54.582 ± 0.093523.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
Deltafliquid2.80 ± 0.43kcal/molReviewRoux, Temprado, et al., 2008There 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
Deltafliquid2.80 ± 0.35kcal/molCcbGood, 1971ALS
Deltafliquid2.56 ± 0.47kcal/molCcbStull, Sinke, et al., 1961see Stull, Sinke, et al., 1959; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1190.84 ± 0.33kcal/molCcbGood, 1971Corresponding «DELTA»fliquid = 2.80 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1190.63 ± 0.47kcal/molCcbStull, Sinke, et al., 1961see Stull, Sinke, et al., 1959; Corresponding «DELTA»fliquid = 2.59 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid56.011cal/mol*KN/AStull, Sinke, et al., 1961DH
liquid56.009cal/mol*KN/AStull, Sinke, et al., 1959, 2DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
45.471298.15Stull, Sinke, et al., 1961T = 15 to 320 K. Premelting occurs at 170 K to melting.; DH
45.471298.15Stull, Sinke, et al., 1959, 2T = 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
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
Tboil450. ± 2.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus221.46KN/ABoord, Perilstein, et al., 1944Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Ttriple221.77KN/AStull, Sinke, et al., 1959, 3Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc684.9 ± 0.5KN/ATsonopoulos and Ambrose, 1995 
Tc684.9KN/AMajer and Svoboda, 1985 
Tc684.9KN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Pc39.0 ± 0.4atmN/ATsonopoulos and Ambrose, 1995 
Pc38.98atmN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.30 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap11.7kcal/molN/AMajer and Svoboda, 1985 
Deltavap11.8 ± 0.24kcal/molReviewRoux, Temprado, et al., 2008There 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
Deltavap11.7kcal/molCHossenlopp and Scott, 1981AC
Deltavap11.72 ± 0.048kcal/molVOsborn and Scott, 1978ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.472451.N/AMajer and Svoboda, 1985 
10.5389.AStephenson and Malanowski, 1987Based on data from 374. - 466. K.; AC
10.8370.N/AAmbrose and Sprake, 1976Based on data from 355. - 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) beta Tc (K) Reference Comment
382. - 451.15.60.2866684.9Majer and Svoboda, 1985 

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.055221.77Stull, Sinke, et al., 1959, 2DH
2.1221.8Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
9.266221.77Stull, Sinke, et al., 1959, 2DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.18773.82crystaline, IIcrystaline, IStull, Sinke, et al., 1961DH
2.055221.77crystaline, IliquidStull, Sinke, et al., 1961DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.52673.82crystaline, IIcrystaline, IStull, Sinke, et al., 1961DH
9.266221.77crystaline, IliquidStull, Sinke, et al., 1961DH

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: 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.

Individual Reactions

Hydrogen + Indene = Indane

By formula: H2 + C9H8 = C9H10

Quantity Value Units Method Reference Comment
Deltar-23.63 ± 0.33kcal/molChydHill, Morton, et al., 1980liquid phase
Deltar-23.kcal/molEqkFrye and Weitkamp, 1969gas phase
Deltar-21.63 ± 0.14kcal/molEqkNaidus and Mueller, 1950gas phase; At 375-525 K

6Hydrogen + 2Indane = 1H-Indene, octahydro-, trans- + 1H-Indene, octahydro-, cis-

By formula: 6H2 + 2C9H10 = C9H16 + C9H16

Quantity Value Units Method Reference Comment
Deltar-90.12 ± 0.50kcal/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -91.6 ± 0.5 kcal/mol; At 355 °K

3Hydrogen + Indane = 1H-Indene, octahydro-, cis-

By formula: 3H2 + C9H10 = C9H16

Quantity Value Units Method Reference Comment
Deltar-45.8kcal/molEqkFrye and Weitkamp, 1969gas phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C9H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.6 ± 0.1EIKoppel, Schwarz, et al., 1974LLK
8.60 ± 0.01EIRakita, Hoffman, et al., 1973LLK
8.52CTSPitt, 1970RDSH
9.05 ± 0.05EIMeier, Heiss, et al., 1968RDSH
8.50PESantiago, Gandour, et al., 1978Vertical value; LLK
8.46 ± 0.03PEHeilbronner, Hoshi, et al., 1976Vertical value; LLK
8.45 ± 0.02PEMaier and Turner, 1973Vertical value; LLK
8.46PEBrogli, Giovannini, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C9H9+12.1 ± 0.1HEIKoppel, Schwarz, et al., 1974LLK

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 152494

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Entel, Ruof, et al., 1953
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 983
Instrument Cary UV spectrophotometer
Melting point -51.4
Boiling point 177.9

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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]

Dorofeeva O.V., 1989
Dorofeeva O.V., Thermodynamic Properties of Gaseous Polycyclic Aromatic Hydrocarbons Containing Five-Membered Rings. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-263 (in Russian), Moscow, 1989. [all data]

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of four aromatic and/or cycloalkane hydrocarbons, J. Chem. Thermodyn., 1981, 13, 423-428. [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]

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]

Koppel, Schwarz, et al., 1974
Koppel, C.; Schwarz, H.; Bohlmann, F., Elektronenstossinduzierte fragmentierung von acetylenverbindungen. VIII. Struktur der stabilen und instabilen ionen[C9H9]+ aus isomeren C9H10- kohlenwasserstoffen, Org. Mass Spectrom., 1974, 8, 25. [all data]

Rakita, Hoffman, et al., 1973
Rakita, P.E.; Hoffman, M.K.; Andrews, M.N.; Bursey, M.M., «sigma»-«pi» Conjugation in group IVA compounds of indene and indane, J. Organomet. Chem., 1973, 49, 213. [all data]

Pitt, 1970
Pitt, C.G., Hyperconjugation: An alternative to the concept of the p«pi»-d«pi» bond in Group IV chemistry, J. Organomet. Chem., 1970, 23, 35. [all data]

Meier, Heiss, et al., 1968
Meier, H.; Heiss, J.; Suhr, H.; Muller, E., Energetische Untersuchungen zum Mills-Nixon-Effekt. Ionisierungsenergien von Benzolmolekulen mit ankondensierten gesattigten Ringen, Tetrahedron, 1968, 24, 2307. [all data]

Santiago, Gandour, et al., 1978
Santiago, C.; Gandour, R.W.; Houk, K.N.; Nutakul, W.; Cravey, W.E.; Thummel, R.P., Photoelectron and ultraviolet spectra of small-ring fused aromatic molecules as probes of aromatic ring distortions, J. Am. Chem. Soc., 1978, 100, 3730. [all data]

Heilbronner, Hoshi, et al., 1976
Heilbronner, E.; Hoshi, T.; von Rosenberg, J.L.; Hafner, K., Alkyl-induced, natural hypsochromic shifts of the 2A<--2X and 2B<--2X transitions of azulene and naphthalene radical cations, Nouv. J. Chim., 1976, 1, 105. [all data]

Maier and Turner, 1973
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part 2. Phenylethylenes, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 196. [all data]

Brogli, Giovannini, et al., 1973
Brogli, F.; Giovannini, E.; Heilbronner, E.; Schurter, R., Die photoelektronen spektren der benzocycloalkene, Chem. Ber., 1973, 106, 961. [all data]

Entel, Ruof, et al., 1953
Entel, J.; Ruof, C.H.; Howard, H.C., Preparation and properties of some methylated indans, Anal. Chem., 1953, 25, 9, 1303-1310. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References