Perylene - The NIST WebBook

Perylene

• Formula: C20H12
• Molecular weight: 252.3093
• IUPAC Standard InChI: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H Copy
• IUPAC Standard InChIKey: CSHWQDPOILHKBI-UHFFFAOYSA-N Copy
• CAS Registry Number: 198-55-0
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file View 3d structure (requires JavaScript / HTML 5)
• Isotopologues:
  • Perylene-D12
• Other names: Peri-Dinaphthalene; Dibenz[de,kl]anthracene; Perilene; α-Perylene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • NIST Polycyclic Aromatic Hydrocarbon Structure Index
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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: DRB - Donald R. Burgess, Jr. 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
ΔfH°solid	182.4 ± 2.7	kJ/mol	Review	Roux, Temprado, et al., 2008	There are insufficient literature values to properly evaluate the data and insufficient information to construct thermochemical cycles or estimate values for comparison, and one must rely solely upon reported uncertainities and the quality of the measurements. In general, the evaluated uncertainty limits are on the order of (3 to 9) kJ/mol.; DRB
ΔfH°solid	182.7 ± 0.46	kJ/mol	Ccr	Westrum and Wong, 1967	ALS
Quantity	Value	Units	Method	Reference	Comment
ΔcH°solid	-9767.97 ± 0.46	kJ/mol	Ccr	Westrum and Wong, 1967	Corresponding ΔfHºsolid = 182.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°solid	-9754. ± 61.	kJ/mol	Ccb	Pongratz and Griengl, 1929	At 288 K; Corresponding ΔfHºsolid = 168.65 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°solid,1 bar	264.6	J/mol*K	N/A	Wong and Westrum, 1980	DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K)	Temperature (K)	Reference	Comment
274.9	298.15	Wong and Westrum, 1980	T = 5 to 575 K.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Roux, Temprado, et al., 2008 Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Westrum and Wong, 1967 Westrum, E.F., Jr.; Wong, S., Strain energies and thermal properties of globular and polynuclear aromatic molecules, AEC Rept. Coo-1149-92, Contract AT(11-1)-1149, 1967, 1-7. [all data]

Pongratz and Griengl, 1929 Pongratz, A.; Griengl, F., Uber Verbrennungswarmen des Perylens und einiger seiner Derivate (XXVI. MitteHung) Untersuchungen uber Perylen und seine Derivate, Monatsh. Chem., 1929, 53, 256-262. [all data]

Wong and Westrum, 1980 Wong, W.K.; Westrum, E.F., Jr., Thermodynamics of polynuclear aromatic molecules. II. Low temperature thermal properties of perylene, coronene, and naphthacene, Mol. Cryst. Liq. Cryst., 1980, 61, 207-228. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, References

• Symbols used in this document:

  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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