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Phenanthrene, 9,10-dihydro-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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:
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
Deltafgas155.1 ± 1.6kJ/molCcbLee-Bechtold, Hossenlopp, et al., 1979Hfusion=12.79 kJ/mol; ALS
Deltafgas154.6 ± 1.6kJ/molCcbShaw, David, et al., 1977Unpublished W.D.Good; ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
45.2550.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
67.82100.
94.76150.
125.85200.
176.10273.15
193.7 ± 1.0298.15
195.02300.
262.25400.
319.43500.
365.78600.
403.24700.
433.87800.
459.23900.
480.451000.
498.341100.
513.521200.
526.471300.
537.561400.
547.121500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid66.3 ± 1.2kJ/molCcbLee-Bechtold, Hossenlopp, et al., 1979Hfusion=12.79 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-7290.4 ± 1.0kJ/molCcbLee-Bechtold, Hossenlopp, et al., 1979Hfusion=12.79 kJ/mol; Corresponding «DELTA»fsolid = 66.30 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar229.29J/mol*KN/AChirico, Hossenloop, et al., 1987DH
solid,1 bar229.4J/mol*KN/ALee-Bechtold, Hossenlopp, et al., 1979DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
243.08298.15Chirico, Hossenloop, et al., 1987T = 10 to 350 K.; DH
243.8298.15Lee-Bechtold, Hossenlopp, et al., 1979T = 10 to 350 K.; DH

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
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus308.KN/AAnonymous, 1969Uncertainty assigned by TRC = 3. K; TRC
Tfus370.KN/AParks and Huffman, 1931Uncertainty assigned by TRC = 1. K; TRC
Tfus370.KN/APadoa, 1919Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple306.51KN/AChirico, Gammon, et al., 1994Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple306.5200KN/ALee-Bechtold, Hossenlopp, et al., 1979, 2Uncertainty assigned by TRC = 0.002 K; by extraplation of 1/f to zero; TRC
Ttriple306.52KN/ALee-Bechtold, Hossenlopp, et al., 1979, 2Uncertainty assigned by TRC = 0.02 K; by extraplation of 1/f to zero; TRC
Quantity Value Units Method Reference Comment
Deltavap76.6 ± 0.1kJ/molIPLee-Bechtold, Hossenlopp, et al., 1979Based on data from 353. - 418. K.; AC
Quantity Value Units Method Reference Comment
Deltasub88.8kJ/molN/ALee-Bechtold, Hossenlopp, et al., 1979DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
441.70.020Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
64.0432.AStephenson and Malanowski, 1987Based on data from 417. - 453. K.; AC
72.3 ± 0.6340.IPLee-Bechtold, Hossenlopp, et al., 1979Based on data from 353. - 418. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
12.790306.52N/ALee-Bechtold, Hossenlopp, et al., 1979DH
12.8306.5ACDomalski and Hearing, 1996See also Lee-Bechtold, Hossenlopp, et al., 1979.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
41.73306.52Lee-Bechtold, Hossenlopp, et al., 1979DH

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, Gas phase ion energetics data, IR Spectrum, 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

Hydrogen + Phenanthrene = Phenanthrene, 9,10-dihydro-

By formula: H2 + C14H10 = C14H12

Quantity Value Units Method Reference Comment
Deltar-50.kJ/molEqkFrye, 1962gas phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C14H12+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
7.55 ± 0.02PEMaier and Turner, 1972LLK
8.08 ± 0.06EIGrutzmacher and Lohmann, 1969RDSH
8.19PEAkiyama, Li, et al., 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C13H9+11.8 ± 0.1CH3EIRapp, Staab, et al., 1970RDSH

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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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Mass 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118583

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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.

Lee-Bechtold, Hossenlopp, et al., 1979
Lee-Bechtold, S.H.; Hossenlopp, I.A.; Scott, D.W.; Osborn, A.G.; Good, W.D., A comprehensive thermodynamic study of 9,10-dihydrophenanthrene, J. Chem. Thermodyn., 1979, 11, 469-482. [all data]

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]

Anonymous, 1969
Anonymous, R., Freon Fluorocarbons - properties and applications, E. I. Du Pont, Freon Product Information, B-2, 1969. [all data]

Parks and Huffman, 1931
Parks, G.S.; Huffman, H.M., Some fusion and transition data for hydrocarbons, Ind. Eng. Chem., 1931, 23, 1138-9. [all data]

Padoa, 1919
Padoa, M., Atti Accad. Naz. Lincei, Cl. Sci. Fis., Mat. Nat., Rend., 1919, 28, 239. [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]

Lee-Bechtold, Hossenlopp, et al., 1979, 2
Lee-Bechtold, S.H.; Hossenlopp, I.A.; Scott, D.W.; Osborn, A.G.; Good, W.D., A Comprehensive Thermodynamic Study of 9,10-Dihydrophenanthrene, J. Chem. Thermodyn., 1979, 11, 469. [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]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

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

Maier and Turner, 1972
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part I. Biphenyls, Faraday Discuss. Chem. Soc., 1972, 54, 149. [all data]

Grutzmacher and Lohmann, 1969
Grutzmacher, H.-F.; Lohmann, J., Massenspektrometrie instabiler organischer Molekule. II.Nachweis von 9.10Dehydro-phenanthren durch Pyrolyse-Massenspektrometrie, Ann. Chem., 1969, 726, 47. [all data]

Akiyama, Li, et al., 1979
Akiyama, I.; Li, K.C.; LeBreton, P.R.; Fu, P.P.; Harvey, R.G., Ultraviolet photoelectron studies of polycyclic aromatic hydrocarbons. The ground-state electronic structure of aryloxiranes and metabolites of benzo[a]pyrene, J. Phys. Chem., 1979, 83, 2997. [all data]

Rapp, Staab, et al., 1970
Rapp, U.; Staab, H.A.; Wunsche, C., Skelettumlagerungen unter Elektronenbeschuss-IV: zur Struktur der C13H9- und C12H9N-Ionen bei Benzylidenaminobenztriazolen, Org. Mass Spectrom., 1970, 3, 45. [all data]


Notes

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