1,2,9,10-Dibenzopyrene

Formula: C₂₄H₁₄
Molecular weight: 302.3680
IUPAC Standard InChI: InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
IUPAC Standard InChIKey: JNTHRSHGARDABO-UHFFFAOYSA-N
CAS Registry Number: 191-30-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: Dibenzo[def,p]chrysene; 1,2:3,4-Dibenzopyrene; Ba 51-090462; Dibenzo[a,l]pyrene; 1,2:9,10-Dibenzopyrene; 4,5:6,7-Dibenzpyrene; Db(a,l)p; Dibenzo(a,d)pyrene; 4,5,6,7-Dibenzpyrene; 2,3:4,5-Dibenzopyrene; Dibenz[a,l]pyrene; NSC 90324; 1,2,4,5-Dibenzpyrene; 1,2,3,4-Dibenzpyrene; Dibenzo(a,1)pyrene; 1,2:9,1o-Dibenzopyrene
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Phase change data

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Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
T_fus	501.2	K	N/A	Casellato, Vecchi, et al., 1973	Uncertainty assigned by TRC = 0.4 K; TRC

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Reference	Comment
5.899	501.2	Acree, 1991	AC

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:

Gas phase ion energetics data

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Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV)	Method	Reference
7.27	CTS	Briegleb, 1964
7.03	CTS	Matsen, 1956

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

Casellato, Vecchi, et al., 1973
Casellato, F.; Vecchi, C.; Girell, A., Differential calorimetric study of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1973, 6, 4, 361, https://doi.org/10.1016/0040-6031(73)87003-0 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Briegleb, 1964
Briegleb, G., Electron affinity of organic molecules, Angew. Chem. Intern. Ed., 1964, 3, 617. [all data]

Matsen, 1956
Matsen, F.A., Electron affinities, methyl affinities, and ionization energies of condensed ring aromatic hydrocarbons, J. Chem. Phys., 1956, 24, 602. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

Symbols used in this document:

T_fus Fusion (melting) point

Δ_fusH Enthalpy of fusion
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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