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1H-Indene, octahydro-, trans-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-131.6 ± 2.1kJ/molCcbBrowne and Rossini, 1960ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
150.00298.15Chang S., 1970These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT
210.33400.
265.52500.

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:
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
Deltafliquid-176.4 ± 1.7kJ/molCcbBrowne and Rossini, 1960ALS
Quantity Value Units Method Reference Comment
Deltacliquid-5652.0 ± 1.7kJ/molCcbBrowne and Rossini, 1960Corresponding «DELTA»fliquid = -176.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5640.9 ± 5.9kJ/molCcbHuckel, Kamenz, et al., 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -5635. ± 8. kJ/mol; Corresponding «DELTA»fliquid = -187.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid258.86J/mol*KN/AFinke, McCullough, et al., 1972DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
209.70298.15Finke, McCullough, et al., 1972T = 10 to 400 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
Tboil434.21 ± 0.04KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus213.4 ± 0.6KAVGN/AAverage of 15 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple213.86KN/AFinke, McCullough, et al., 1972, 2Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple213.8KN/AAnonymous, 1959Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap44.8 ± 1.3kJ/molVBrowne and Rossini, 1960ALS
Deltavap44.8kJ/molN/ABrowne and Rossini, 1960DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
45.1296.AStephenson and Malanowski, 1987Based on data from 281. - 362. K.; AC
41.1371.AStephenson and Malanowski, 1987Based on data from 356. - 457. K.; AC
45.9272.AStephenson and Malanowski, 1987Based on data from 262. - 283. K.; AC
41.0373.AStephenson and Malanowski, 1987Based on data from 358. - 479. K.; AC
41.6360.GSCamin and Rossini, 1955Based on data from 345. - 435. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
10.9052213.86Finke, McCullough, et al., 1972DH
10.9213.9Finke, McCullough, et al., 1972AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
50.99213.86Finke, McCullough, et al., 1972DH

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

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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 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

1H-Indene, octahydro-, cis- = 1H-Indene, octahydro-, trans-

By formula: C9H16 = C9H16

Quantity Value Units Method Reference Comment
Deltar-3.10kJ/molEqkFinke, McCullough, et al., 1972liquid phase
Deltar-2.4 ± 0.2kJ/molEqkBlanchard and Schleyer, 1963liquid phase; Heat of isomerization
Deltar-4.5 ± 0.4kJ/molEqkAllinger and Coke, 1960liquid phase

8Hydrogen + 2Indene = 1H-Indene, octahydro-, trans- + 1H-Indene, octahydro-, cis-

By formula: 8H2 + 2C9H8 = C9H16 + C9H16

Quantity Value Units Method Reference Comment
Deltar-585.2 ± 4.2kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -587.4 ± 4.2 kJ/mol; At 355 °K

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

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

Quantity Value Units Method Reference Comment
Deltar-377.1 ± 2.1kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -383. ± 2. kJ/mol; At 355 °K

1H-Indene, octahydro-, trans- = 1H-Indene, octahydro-, cis-

By formula: C9H16 = C9H16

Quantity Value Units Method Reference Comment
Deltar4.456kJ/molEqkFinke, McCullough, et al., 1972gas phase

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR 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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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.
NIST MS number 2351

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.


References

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

Finke, McCullough, et al., 1972, 2
Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Osborn, A.G.; Douslin, D.R., cis- and trans-Hexahydroindan. Chemical thermodynamic properties and isomerization equilibrium, J. Chem. Thermodyn., 1972, 4, 477-94. [all data]

Anonymous, 1959
Anonymous, X., Unpublished, 1959, Bartlesville, OK 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]

Camin and Rossini, 1955
Camin, David L.; Rossini, Frederick D., Physical Properties of Fourteen API Research Hydrocarbons, C 9 to C 15, J. Phys. Chem., 1955, 59, 11, 1173-1179, https://doi.org/10.1021/j150533a014 . [all data]

Blanchard and Schleyer, 1963
Blanchard, K.R.; Schleyer, P., Quantitative study of the interconversion of hydrindane isomers by aluminum bromide, J. Org. Chem., 1963, 28, 247-248. [all data]

Allinger and Coke, 1960
Allinger, N.L.; Coke, J.L., The relative stabilities of cis and trans isomers. VII. The hydrindanes, J. Am. Chem. Soc., 1960, 82, 2553-2556. [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]


Notes

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