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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Phase change data
Go To: Top, 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:
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 |
Mass spectrum (electron ionization)
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 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. |
---|---|
Origin | Chemical Concepts |
NIST MS number | 157404 |
References
Go To: Top, Phase change 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.
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, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Ttriple Triple point temperature Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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