4,7-Methano-1H-indene, octahydro-

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-14.38 ± 0.90kcal/molCcbBoyd, Sanwal, et al., 1971 

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
Δfsolid-27.03 ± 0.60kcal/molCcbBoyd, Sanwal, et al., 1971ALS
Quantity Value Units Method Reference Comment
Δcsolid-1460.0 ± 0.6kcal/molCcbBoyd, Sanwal, et al., 1971Corresponding Δfsolid = -26.99 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-1454.2kcal/molCcbBecker and Roth, 1934Corresponding Δfsolid = -32.8 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
57.70329.Boyd, Sanwal, et al., 1971, 2T = 329 to 390 K. Four temperatures.; 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus352.0KN/ABoyd, Sanwal, et al., 1971, 3Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δsub12.7 ± 0.3kcal/molVBoyd, Sanwal, et al., 1971ALS
Δsub12.6kcal/molN/ABoyd, Sanwal, et al., 1971DRB
Δsub12.6 ± 0.31kcal/molBGBoyd, Sanwal, et al., 1971Based on data from 359. to 443. K. See also Pedley and Rylance, 1977.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.0409.EBXing, Fang, et al., 2009Based on data from 394. to 457. K.; AC
10.4373.AStephenson and Malanowski, 1987Based on data from 358. to 465. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
0.734345.3ACKong, Tan, et al., 2003AC
0.705352.N/ADomalski and Hearing, 1996AC
0.7051352.N/ABoyd, Sanwal, et al., 1971, 2DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
2.0352.Boyd, Sanwal, et al., 1971, 2DH

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:


Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.3PIFedorova, Potapov, et al., 1974LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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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: 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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-8667
NIST MS number 232340

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, Gas phase ion energetics 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.

Boyd, Sanwal, et al., 1971
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D., The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons, J. Phys. Chem., 1971, 75, 1264-1271. [all data]

Becker and Roth, 1934
Becker, G.; Roth, W.A., Verbrennungswarmen einiger cyclischer kohlenwasserstoffe, Ber., 1934, 67, 627-632. [all data]

Boyd, Sanwal, et al., 1971, 2
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D., The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons, J. Phys. Chem., 1971, 75, 1265-1271. [all data]

Boyd, Sanwal, et al., 1971, 3
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D., J. Phys. Chem., 1971, 75, 1264. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Xing, Fang, et al., 2009
Xing, Yan; Fang, Wenjun; Li, Dan; Guo, Yongsheng; Lin, Ruisen, Density, Viscosity, and Vapor Pressure for Binary Mixtures of Tricyclo [5.2.1.0 2.6 ] Decane and Diethyl Carbonate, J. Chem. Eng. Data, 2009, 54, 6, 1865-1870, https://doi.org/10.1021/je800984q . [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]

Kong, Tan, et al., 2003
Kong, Li-Guo; Tan, Zhi-Cheng; Xu, Jie; Meng, Shuang-He; Bao, Xin-He, Low-temperature heat capacity and thermodynamic properties of endo-Tricyclo[5.2.1.02,6]decane, The Journal of Chemical Thermodynamics, 2003, 35, 12, 1897-1903, https://doi.org/10.1016/j.jct.2003.08.013 . [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]

Fedorova, Potapov, et al., 1974
Fedorova, M.S.; Potapov, V.K.; Denisov, Yu.V.; Sorokin, V.V.; Evlasheva, T.I., A mass-spectrometric study of the photoionisation of certain cyclic hydrocarbons, Russ. J. Phys. Chem., 1974, 48, 1078, In original 1828. [all data]


Notes

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), References