- Formula: C18H10
- Molecular weight: 226.2720
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: YEIHPPOCKIHUQJ-UHFFFAOYSA-N
- CAS Registry Number: 203-12-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzo[mno]fluoranthene; Benzofluoranthene; 1,10-Benzofluoranthrene; 1,12-Benzfluoranthene; Benz-(m,n,o)-fluoranthene
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Gas phase thermochemistry data
Go To: Top, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
|Cp,gas (J/mol*K)||Temperature (K)||Reference||Comment|
|39.55||50.||Dorofeeva O.V., 1989||These 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].|
|217.0 ± 2.5||298.15|
Phase change data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
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
|Tfus||424.4||K||N/A||Smith, 1980||Crystal phase 1 phase; Uncertainty assigned by TRC = 0.4 K; TRC|
Enthalpy of fusion
|fusH (kJ/mol)||Temperature (K)||Reference||Comment|
|11.8||424.||Smith, 1980, 2||AC|
Entropy of fusion
|fusS (J/mol*K)||Temperature (K)||Reference||Comment|
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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|
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
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, 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, G.W., Mol. Cryst. Liq. Cryst., 1979, 15. [all data]
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tfus Fusion (melting) point fusH Enthalpy of fusion fusS Entropy of fusion
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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