Phenanthrene, 1,2,3,4-tetrahydro-
- Formula: C14H14
- Molecular weight: 182.2610
- IUPAC Standard InChIKey: UXNCDAQNSQBHEN-UHFFFAOYSA-N
- CAS Registry Number: 1013-08-7
- 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. - Other names: 1,2,3,4-Tetrahydrophenanthrene
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Gas phase thermochemistry data
Go To: Top, Phase change 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 22.07 ± 0.32 | kcal/mol | Ccb | Shaw, David, et al., 1977 | Unpublished W.D.Good; ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.91 | 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].; GT |
16.80 | 100. | ||
23.55 | 150. | ||
31.154 | 200. | ||
43.549 | 273.15 | ||
47.94 ± 0.60 | 298.15 | ||
48.272 | 300. | ||
65.251 | 400. | ||
79.912 | 500. | ||
91.934 | 600. | ||
101.74 | 700. | ||
109.83 | 800. | ||
116.57 | 900. | ||
122.23 | 1000. | ||
127.02 | 1100. | ||
131.09 | 1200. | ||
134.57 | 1300. | ||
137.55 | 1400. | ||
140.12 | 1500. |
Phase change data
Go To: Top, Gas 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 302.550 | K | N/A | Chirico, Gammon, et al., 1994 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.005 K; TRC |
Ttriple | 302.560 | K | N/A | Chirico, Hossenlopp, et al., 1987 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
446.2 | 0.014 | Weast and Grasselli, 1989 | BS |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.822 | 302.6 | Chirico, Gammon, et al., 1994, 2 | CAL |
4.885 | 285. | ||
1.41 | 298. |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
302.560 | crystaline, I | liquid | Chirico, Hossenloop, et al., 1987 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0509 | 282.5 | crystaline, III | crystaline, II | Chirico, Hossenloop, et al., 1987 | DH |
0.32127 | 298.0 | crystaline, II | crystaline, I | Chirico, Hossenloop, et al., 1987 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.18 | 282.5 | crystaline, III | crystaline, II | Chirico, Hossenloop, et al., 1987 | DH |
1.06 | 298.0 | crystaline, II | crystaline, I | Chirico, Hossenloop, et al., 1987 | DH |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shaw, David, et al., 1977
Shaw, R.G.; David, M.; Benson, S.W.,
Thermochemistry of some six-membered cyclic and polycyclic compounds related to coal,
J. Phys. Chem., 1977, 81, 1716-1729. [all data]
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]
Chirico, Gammon, et al., 1994
Chirico, R.D.; Gammon, B.E.; Hossenlopp, I.A.; Steele, W.V.,
Heat capacities of 1,2,3,4-tetrahydrophenanthrene at temp. between 5 K and 430 K and revised heat capacities of 9,10-dihydrophenanthrene beaween 10 K and 350 K,
J. Chem. Thermodyn., 1994, 26, 469-81. [all data]
Chirico, Hossenlopp, et al., 1987
Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Steele, W.V.,
Thermochem. and Thermophys. Prop. of Organic Compounds Derived from Fossil Substances. Thermodynamic Studies Related to the Hydrogenation of Anthracene, Natl. Inst. Pet. Energy Res. Rep. NIPER-239, Bartlesvill- e, OK, 1987. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Chirico, Gammon, et al., 1994, 2
Chirico, R.D.; Gammon, B.E.; Steele, W.V.,
Heat capacities of 1,2,3,4-tetrahydrophenanthrene at temperatures between 5 K and 430 K and revised heat capacities of 9,10-dihydrophenanthrene at temperatures between 10 K and 350 K,
J. Chem. Thermodyn., 1994, 26, 5, 469, https://doi.org/10.1006/jcht.1994.1057
. [all data]
Chirico, Hossenloop, et al., 1987
Chirico, R.D.; Hossenloop, I.A.; Nguyen, A.; Strube, M.M.; Steele, W.V.,
Thermodynamic studies related to the hydrogenation of phenanthrene,
NIPER Report, 1987, 247, 107p. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Ttriple Triple point temperature Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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