Fulvene - The NIST WebBook

Fulvene

• Formula: C6H6
• Molecular weight: 78.1118
• IUPAC Standard InChI: InChI=1S/C6H6/c1-6-4-2-3-5-6/h2-5H,1H2 Copy
• IUPAC Standard InChIKey: PGTKVMVZBBZCKQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 497-20-1
• 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)
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• Information on this page:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
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Reaction 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

3 + =

By formula: 3H2 + C6H6 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-330. ± 0.4	kJ/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase

References

Go To: Top, Reaction thermochemistry data, Notes

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

Roth, Adamczak, et al., 1991 Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Notes

Go To: Top, Reaction thermochemistry data, References

• Symbols used in this document:

  ΔrH°	Enthalpy of reaction at standard conditions

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