Phenanthrene
- Formula: C14H10
- Molecular weight: 178.2292
- IUPAC Standard InChI: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
- IUPAC Standard InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-N
- CAS Registry Number: 85-01-8
- 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. - Isotopologues:
- Other names: Phenanthren; Phenanthrin; Phenantrin
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Gas phase thermochemistry data
Go To: Top, 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:
DRB - Donald R. Burgess, Jr.
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 | 202.2 ± 2.3 | kJ/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB |
| ΔfH°gas | 201.2 ± 4.7 | kJ/mol | Ccb | Steele, Chirico, et al., 1990 | Δ Hfusion = 15.96±0.05 kJ/mol; ALS |
| ΔfH°gas | 206.9 ± 4.6 | kJ/mol | Ccb | Coleman and Pilcher, 1966 | Author was aware that data differs from previously reported values; ALS |
| ΔfH°gas | 203.8 | kJ/mol | N/A | Bender and Farber, 1952 | Value computed using ΔfHsolid° value of 113.0 kj/mol from Bender and Farber, 1952 and ΔsubH° value of 90.8 kj/mol from Bender and Farber, 1952.; DRB |
| ΔfH°gas | 163.6 | kJ/mol | N/A | Richardson and Parks, 1939 | Value computed using ΔfHsolid° value of 72.8±2.6 kj/mol from Richardson and Parks, 1939 and ΔsubH° value of 90.8 kj/mol from Richardson and Parks, 1939.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 41.35 | 50. | Dorofeeva O.V., 1988 | These functions are also reproduced in the reference book [ Frenkel M., 1994]. Recommended values of S(T) and Cp(T) agree with those calculated by [ Kudchadker S.A., 1979] within 1.3 J/mol*K.; GT |
| 62.23 | 100. | ||
| 88.70 | 150. | ||
| 119.57 | 200. | ||
| 168.72 | 273.15 | ||
| 185.7 ± 1.0 | 298.15 | ||
| 186.91 | 300. | ||
| 250.42 | 400. | ||
| 303.40 | 500. | ||
| 345.75 | 600. | ||
| 379.61 | 700. | ||
| 407.06 | 800. | ||
| 429.65 | 900. | ||
| 448.46 | 1000. | ||
| 464.28 | 1100. | ||
| 477.68 | 1200. | ||
| 489.09 | 1300. | ||
| 498.87 | 1400. | ||
| 507.29 | 1500. |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y.,
Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons,
J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]
Steele, Chirico, et al., 1990
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K.,
Determination of ideal-gas enthalpies of formation for key compounds,
Am. Inst. Chem. Eng. Symp. Ser. (AIChE Symp. Ser.), 1990, 138-154. [all data]
Coleman and Pilcher, 1966
Coleman, D.J.; Pilcher, G.,
Heats of combustion of biphenyl, bibenzyl, naphthalene, anthracene, and phenanthrene,
Trans. Faraday Soc., 1966, 62, 821-827. [all data]
Bender and Farber, 1952
Bender, P.; Farber, J.,
The heats of combustion of anthracene transannular peroxide and dianthracene,
J. Am. Chem. Soc., 1952, 74, 1450-1452. [all data]
Richardson and Parks, 1939
Richardson, J.W.; Parks, G.S.,
Thermal data on organic compounds. XIX. Modern combustion data for some non-volatile compounds containing carbon, hydrogen and oxygen,
J. Am. Chem. Soc., 1939, 61, 3543-3546. [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]
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]
Kudchadker S.A., 1979
Kudchadker S.A.,
Chemical thermodynamic properties of anthracene and phenathrene,
J. Chem. Thermodyn., 1979, 11, 1051-1059. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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