Perhydrophenanthrene, (4aα, 4bβ, 8aα, 10aβ)-
- Formula: C14H20
- Molecular weight: 188.3086
- IUPAC Standard InChI: InChI=1S/C14H24/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h11-14H,1-10H2/t11-,12-,13+,14+/m0/s1
- IUPAC Standard InChIKey: GNMCGMFNBARSIY-IGQOVBAYSA-N
- CAS Registry Number: 2108-89-6
- 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. - Species with the same structure:
- Stereoisomers:
- cis,syn,cis-Perhydrophenanthrene
- Perhydrophenanthrene, (4aα, 4bβ, 8aα, 10a.alpha)-
- Perhydrophenanthrene, (4aα, 4bβ, 8aβ, 10aα)-
- Perhydrophenanthrene, (4aα, 4bα, 8aβ, 10a.beta)-
- Phenanthrene, tetradecahydro-
- Tricyclo[8.4.0.0(2,7)]dodecane, isomer # 1
- Tricyclo[8.4.0.0(2,7)]dodecane, isomer # 2
- Tricyclo[8.4.0.0(2,7)]dodecane, isomer # 3
- Tricyclo[8.4.0.0(2,7)]dodecane, isomer # 4
- Other names: trans,anti,trans-Perhydrophenanthrene
- Information on this page:
- Other data available:
- Options:
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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 |
|---|---|---|---|
| 47.98 | 50. | Dorofeeva O.V., 1988 | Recommended 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]. |
| 79.82 | 100. | ||
| 114.57 | 150. | ||
| 150.24 | 200. | ||
| 210.05 | 273.15 | ||
| 232.5 ± 3.5 | 298.15 | ||
| 234.15 | 300. | ||
| 325.88 | 400. | ||
| 409.65 | 500. | ||
| 480.73 | 600. | ||
| 540.17 | 700. | ||
| 590.08 | 800. | ||
| 632.25 | 900. | ||
| 668.06 | 1000. | ||
| 698.57 | 1100. | ||
| 724.65 | 1200. | ||
| 747.01 | 1300. | ||
| 766.26 | 1400. | ||
| 782.88 | 1500. |
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
=
By formula: C14H20 = C14H24
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 48.49 | kJ/mol | Eqk | Honig and Allinger, 1985 | liquid phase; solvent: Acetic acid; Heat of isomerization GC |
=
By formula: C14H20 = C14H24
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 92.22 | kJ/mol | Eqk | Honig and Allinger, 1985 | liquid phase; solvent: Acetic acid; Heat of isomerization GC |
=
By formula: C14H20 = C14H24
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 95.69 | kJ/mol | Eqk | Honig and Allinger, 1985 | liquid phase; solvent: Acetic acid; Heat of isomerization GC |
=
By formula: C14H20 = C14H24
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 29.8 | kJ/mol | Eqk | Honig and Allinger, 1985 | liquid phase; solvent: Acetic acid; Heat of isomerization GC |
=
By formula: C14H20 = C14H24
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36.3 | kJ/mol | Eqk | Honig and Allinger, 1985 | liquid phase; solvent: Acetic acid; Heat of isomerization GC |
References
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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]
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, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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