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Phenanthrene, 1,2,3,4-tetrahydro-

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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 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
Deltafgas92.3 ± 1.3kJ/molCcbShaw, David, et al., 1977Unpublished W.D.Good; ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
45.6450.Dorofeeva O.V., 1988Recommended 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
70.30100.
98.52150.
130.35200.
182.21273.15
200.6 ± 2.5298.15
201.97300.
273.01400.
334.35500.
384.65600.
425.70700.
459.54800.
487.73900.
511.421000.
531.451100.
548.481200.
563.031300.
575.511400.
586.271500.

Condensed 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid286.60J/mol*KN/AChirico, Hossenloop, et al., 1987 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
278.26298.15Chirico, Hossenloop, et al., 1987T = 5 to 430 K.

Phase change 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 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
Ttriple302.550KN/AChirico, Gammon, et al., 1994Crystal phase 1 phase; Uncertainty assigned by TRC = 0.005 K; TRC
Ttriple302.560KN/AChirico, Hossenlopp, et al., 1987Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
446.20.015Weast and Grasselli, 1989BS

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
36.91302.6Chirico, Gammon, et al., 1994, 2CAL
20.44285.
5.92298.

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
302.560crystaline, IliquidChirico, Hossenloop, et al., 1987DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.213282.5crystaline, IIIcrystaline, IIChirico, Hossenloop, et al., 1987DH
1.3442298.0crystaline, IIcrystaline, IChirico, Hossenloop, et al., 1987DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.75282.5crystaline, IIIcrystaline, IIChirico, Hossenloop, et al., 1987DH
4.44298.0crystaline, IIcrystaline, IChirico, Hossenloop, et al., 1987DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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 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

2Hydrogen + Phenanthrene = Phenanthrene, 1,2,3,4-tetrahydro-

By formula: 2H2 + C14H10 = C14H14

Quantity Value Units Method Reference Comment
Deltar-130.kJ/molEqkFrye, 1962gas phase

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction 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 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

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

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, 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]

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]

Frye, 1962
Frye, C.G., Equilibria in the hydrogenation of polycyclic aromatics, J. Chem. Eng. Data, 1962, 7, 592-595. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References