Phenanthrene, 1,2-dihydro-

Formula: C₁₄H₁₂
Molecular weight: 180.2451
IUPAC Standard InChI: InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,3-5,7-10H,2,6H2
IUPAC Standard InChIKey: DYHJTAONEPZTCO-UHFFFAOYSA-N
CAS Registry Number: 56179-83-0
Chemical structure:
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Other names: 1,2-Dihydrophenanthrene
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Other data available:
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Gas phase thermochemistry data

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Data compiled by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
10.54	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].
16.00	100.
22.44	150.
29.830	200.
41.797	273.15
46.00 ± 0.60	298.15
46.310	300.
62.352	400.
76.023	500.
87.122	600.
96.107	700.
103.46	800.
109.55	900.
114.65	1000.
118.95	1100.
122.59	1200.
125.71	1300.
128.37	1400.
130.67	1500.

Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Lee's RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	286.78	Piao, Chu, et al., 1999	30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min

References

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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]

Piao, Chu, et al., 1999
Piao, M.; Chu, S.; Zheng, M.; Xu, X., Characterization of the combustion products of polyethylene, Chemosphere, 1999, 39, 9, 1497-1512, https://doi.org/10.1016/S0045-6535(99)00054-5 . [all data]

Notes

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Symbols used in this document:

C_p,gas Constant pressure heat capacity of gas
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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