Anthracene, 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 by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

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].
15.81100.
22.26150.
29.730200.
41.790273.15
46.01 ± 0.48298.15
46.326300.
62.452400.
76.178500.
87.306600.
96.298700.
103.65800.
109.73900.
114.821000.
119.101100.
122.741200.
125.831300.
128.491400.
130.771500.

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 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
Δcsolid-1742.47 ± 0.28kcal/molCcbMagnus, Hartmann, et al., 1951Reanalyzed by Cox and Pilcher, 1970, Original value = -1742.58 ± 0.28 kcal/mol; Corresponding Δfsolid = 15.86 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar52.335cal/mol*KN/AChirico, Hossenlopp, et al., 1987DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
52.357298.15Chirico, Hossenlopp, et al., 1987T = 10 to 500 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
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
Tboil585.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil578.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Ttriple382.18KN/AChirico, Hossenlopp, et al., 1987, 2Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Δsub22.5 ± 0.2kcal/molMEMalaspina, Gigli, et al., 1975AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
440.70.017Weast and Grasselli, 1989BS

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
22.4383.GSNass, Lenoir, et al., 1995Based on data from 313. to 453. K.; AC
22.1 ± 1.318. to 379.MEMalaspina, Gigli, et al., 1975See also Stephenson and Malanowski, 1987.; AC
22.3 ± 1.304.N/AHoyer and Peperle, 1958Based on data from 279. to 328. K. See also Cox and Pilcher, 1970, 2.; AC
22.3 ± 1.0279.VHoyer and Peperle, 1958, 2Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 21.7 kcal/mol; ALS
21.4388.N/AMagnus, Hartman, et al., 1951See also Jones, 1960.; AC
21.4293.VMagnus, Hartmann, et al., 1951ALS

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
5.6979382.18Chirico, Hossenlopp, et al., 1987DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
14.91382.18Chirico, Hossenlopp, 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:


IR Spectrum

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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, 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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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 Japan AIST/NIMC Database- Spectrum MS-NW-1882
NIST MS number 228367

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References

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

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]

Magnus, Hartmann, et al., 1951
Magnus, A.; Hartmann, H.; Becker, F., Verbrennungswarmen und resonanzenergien von mehrkernigen aromatischen kohlenwasserstoffen, Z. Phys. Chem., 1951, 197, 75-91. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Chirico, Hossenlopp, et al., 1987
Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Steele, W.V., Thermochemical and thermophysical properties of organic compounds derived from fossil substances. Thermodynamic studies related to the hydrogenation of anthracene, NIPER Report, 1987, 239, 67p. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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, Hossenlopp, et al., 1987, 2
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]

Malaspina, Gigli, et al., 1975
Malaspina, L.; Gigli, R.; Bardi, G.; DeMaria, G., Vapor pressure and sublimation enthalpy of 9,10-dihydroanthracene, Conf. Int. Thermodyn. Chim. C.R. 4th, 1975, 1, 54. [all data]

Nass, Lenoir, et al., 1995
Nass, Karen; Lenoir, Dieter; Kettrup, Antonius, Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure, Angew. Chem. Int. Ed. Engl., 1995, 34, 16, 1735-1736, https://doi.org/10.1002/anie.199517351 . [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]

Hoyer and Peperle, 1958
Hoyer, H.; Peperle, W., Z. Elektrochem., 1958, 62, 61. [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Hoyer and Peperle, 1958, 2
Hoyer, H.; Peperle, W., Dampfdrunkmessungen an organischen substanzen und ihre sublimationswarmen, Z. Electrochem., 1958, 62, 61-66. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Magnus, Hartman, et al., 1951
Magnus, A.; Hartman, H.; Becker, F., Erdol u Kohle, 1951, 4, 115. [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]


Notes

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