Phenanthrene, 9,10-dihydro-

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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
Δfgas37.07 ± 0.38kcal/molCcbLee-Bechtold, Hossenlopp, et al., 1979Hfusion=12.79 kJ/mol; ALS
Δfgas36.96 ± 0.38kcal/molCcbShaw, David, et al., 1977Unpublished W.D.Good; ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.8250.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
16.21100.
22.65150.
30.079200.
42.089273.15
46.30 ± 0.24298.15
46.611300.
62.679400.
76.346500.
87.424600.
96.377700.
103.70800.
109.76900.
114.831000.
119.111100.
122.731200.
125.831300.
128.481400.
130.761500.

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
Δvap18.3 ± 0.02kcal/molIPLee-Bechtold, Hossenlopp, et al., 1979Based on data from 353. to 418. K.; AC
Quantity Value Units Method Reference Comment
Δsub21.2kcal/molN/ALee-Bechtold, Hossenlopp, et al., 1979DRB

Reduced pressure boiling point

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

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
15.3432.AStephenson and Malanowski, 1987Based on data from 417. to 453. K.; AC
17.3 ± 0.1340.IPLee-Bechtold, Hossenlopp, et al., 1979Based on data from 353. to 418. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
3.0569306.52N/ALee-Bechtold, Hossenlopp, et al., 1979DH
3.06306.5ACDomalski and Hearing, 1996See also Lee-Bechtold, Hossenlopp, et al., 1979.; AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
9.974306.52Lee-Bechtold, Hossenlopp, et al., 1979DH

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Mass spectrum (electron ionization)

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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: 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118583

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References

Go To: Top, Gas phase thermochemistry data, 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.

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]

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]


Notes

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