1H-Indene, octahydro-, trans-

• Formula: C₉H₁₆
• Molecular weight: 124.2233
• IUPAC Standard InChI: InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9-/m0/s1 Copy

  
• IUPAC Standard InChIKey: BNRNAKTVFSZAFA-IUCAKERBSA-N Copy
• CAS Registry Number: 3296-50-2
• 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.
• Stereoisomers:
  • 1H-Indene, octahydro-, cis-
  • 1H-Indene, octahydro-
  • Bicyclo[4.3.0]nonane, isomer # 1
  • Bicyclo[4.3.0]nonane, isomer # 2
• Other names: Indan, hexahydro-, trans-; trans-Bicyclo[4.3.0]nonane; trans-Hexahydroindan; trans-Hydrindane; trans-Perhydroindene; trans-Octahydro-1H-indene; Octahydro-1H-indene, trans; Indene, octahydro-, trans-; trans-Hydrindan; trans-Hexahydrindan
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, 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:
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 C₉H₁₆⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes

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

Browne and Rossini, 1960
Browne, C.C.; Rossini, F.D., Heats of combustion, formation, and isomerization of the cis and trans isomers of hexahydroindan, J. Phys. Chem., 1960, 64, 927-931. [all data]

Chang S., 1970
Chang S., The heats of combustion and strain energies of bicyclo[n.m.0]alkanes, J. Am. Chem. Soc., 1970, 92, 3109-3118. [all data]

Huckel, Kamenz, et al., 1937
Huckel, W.; Kamenz, E.; Gross, A.; Tappe, W., Zur kenntnis der waldenschen umkehrung, Ann. Chim., 1937, 533, 1-45. [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]

Finke, McCullough, et al., 1972
Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Osborn, A.; Douslin, D.R., cis- and trans-Hexahydroindan. Chemical thermodynamic properties and isomerization equilibrium, J. Chem. Thermodyn., 1972, 4, 477-494. [all data]

Mikaya and Zaikin, 1980
Mikaya, A.I.; Zaikin, V.G., Determination of the difference in enthalpies of formation of the cis- and trans-isomers of bicyclo[4.3.0]nonane and bicyclo[4.4.0]decane using appearance potentials, Izv. Akad. Nauk SSSR, Ser. Khim., 1980, 6, 1286. [all data]

Natalis, 1963
Natalis, P., Etude du comportement d'isomeres geometriques sous l'impact electronique. II. Les cis et trans hexahydroindanes, Bull. Soc. Chim. Belges, 1963, 72, 374. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,gas	Constant pressure heat capacity of gas
  Cp,liquid	Constant pressure heat capacity of liquid
  S°liquid	Entropy of liquid at standard conditions
  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

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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