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Perhydrophenanthrene, (4a«alpha», 4b«beta», 8a«alpha», 10a«beta»)-

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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
47.9850.Dorofeeva O.V., 1988Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986]). These functions are reproduced in the reference book [ Frenkel M., 1994].
79.82100.
114.57150.
150.24200.
210.05273.15
232.5 ± 3.5298.15
234.15300.
325.88400.
409.65500.
480.73600.
540.17700.
590.08800.
632.25900.
668.061000.
698.571100.
724.651200.
747.011300.
766.261400.
782.881500.

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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus283.KN/ANuzzi, 1982Uncertainty assigned by TRC = 1. K; TRC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
11.83283.Domalski and Hearing, 1996AC

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

Perhydrophenanthrene, (4aα, 4bβ, 8aα, 10aβ)- = Perhydrophenanthrene, (4aα, 4bα, 8aα, 10aβ)-

By formula: C14H20 = C14H24

Quantity Value Units Method Reference Comment
Deltar48.49kJ/molEqkHonig and Allinger, 1985liquid phase; solvent: Acetic acid; Heat of isomerization GC

Perhydrophenanthrene, (4aα, 4bβ, 8aα, 10aβ)- = cis,syn,cis-Perhydrophenanthrene

By formula: C14H20 = C14H24

Quantity Value Units Method Reference Comment
Deltar92.22kJ/molEqkHonig and Allinger, 1985liquid phase; solvent: Acetic acid; Heat of isomerization GC

Perhydrophenanthrene, (4aα, 4bβ, 8aα, 10aβ)- = Perhydrophenanthrene, (4aα, 4bα, 8aβ, 10a.beta)-

By formula: C14H20 = C14H24

Quantity Value Units Method Reference Comment
Deltar95.69kJ/molEqkHonig and Allinger, 1985liquid phase; solvent: Acetic acid; Heat of isomerization GC

Perhydrophenanthrene, (4aα, 4bβ, 8aα, 10aβ)- = Perhydrophenanthrene, (4aα, 4bβ, 8aα, 10a.alpha)-

By formula: C14H20 = C14H24

Quantity Value Units Method Reference Comment
Deltar29.8kJ/molEqkHonig and Allinger, 1985liquid phase; solvent: Acetic acid; Heat of isomerization GC

Perhydrophenanthrene, (4aα, 4bβ, 8aα, 10aβ)- = Perhydrophenanthrene, (4aα, 4bβ, 8aβ, 10aα)-

By formula: C14H20 = C14H24

Quantity Value Units Method Reference Comment
Deltar36.3kJ/molEqkHonig and Allinger, 1985liquid phase; solvent: Acetic acid; Heat of isomerization GC

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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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 215317

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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.

Dorofeeva O.V., 1988
Dorofeeva O.V., Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]

Dorofeeva O.V., 1986
Dorofeeva O.V., On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1986, 102, 59-66. [all data]

Frenkel M., 1994
Frenkel M., Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]

Nuzzi, 1982
Nuzzi, M., Thermal data and thermodynamic functions of perhydrophenanthrenes, Riv. Combust., 1982, 36, 41. [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]

Honig and Allinger, 1985
Honig, H.; Allinger, N.L., The stereoisomers of perhydrophenanthrene, J. Org. Chem., 1985, 50, 4630-4632. [all data]


Notes

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