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Benzo[ghi]fluoranthene

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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 (J/mol*K) Temperature (K) Reference Comment
39.5550.Dorofeeva O.V., 1989These statistically calculated values were obtained using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986, Moiseeva N.F., 1990]). The S(300 K) and Cp(300 K) values calculated by MM3 method [ Pope C.J., 1995] are 25.5 and 8.8 J/mol*K, respectively, greater than selected ones. Recommended values are also reproduced in the reference book [ Frenkel M., 1994].
63.36100.
96.85150.
135.78200.
196.42273.15
217.0 ± 2.5298.15
218.55300.
295.28400.
359.08500.
409.98600.
450.48700.
483.06800.
509.64900.
531.581000.
549.881100.
565.261200.
578.281300.
589.381400.
598.891500.

Phase change data

Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
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

Quantity Value Units Method Reference Comment
Tfus424.4KN/ASmith, 1980Crystal phase 1 phase; Uncertainty assigned by TRC = 0.4 K; TRC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
11.8424.Smith, 1980, 2AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
13.28402.8Smith, 1979CAL
2.19402.1
1.23352.7
27.83424.

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:


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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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 AIR POLLUTION CONT. DIVN., TUNNEY'S PASTURE, OTTAWA, CANADA
NIST MS number 10722

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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.

Dorofeeva O.V., 1989
Dorofeeva O.V., Thermodynamic Properties of Gaseous Polycyclic Aromatic Hydrocarbons Containing Five-Membered Rings. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-263 (in Russian), Moscow, 1989. [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]

Moiseeva N.F., 1990
Moiseeva N.F., Group additivity scheme for calculating the chemical thermodynamic properties of gaseous polycyclic aromatic hydrocarbons containing five-membered rings, Thermochim. Acta, 1990, 168, 179-186. [all data]

Pope C.J., 1995
Pope C.J., Thermochemical properties of curved PAH and fullerenes: a group additivity method compared with MM3(92) and MOPAC predictions, J. Phys. Chem., 1995, 99, 4306-4316. [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]

Smith, 1980
Smith, G.W., Phase behavior of some condensed polycyclic aromatics, Mol. Cryst. Liq. Cryst., 1980, 64, 15. [all data]

Smith, 1980, 2
Smith, George W., Phase Behavior of some Condensed Polycyclic Aromatics, Molecular Crystals and Liquid Crystals, 1980, 64, 1, 15-17, https://doi.org/10.1080/01406568008072649 . [all data]

Smith, 1979
Smith, G.W., Mol. Cryst. Liq. Cryst., 1979, 15. [all data]


Notes

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