- Formula: C7H7
- Molecular weight: 91.1305
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: SLRMQYXOBQWXCR-UHFFFAOYSA-N
- CAS Registry Number: 2154-56-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
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|fH°gas||207. ± 4.||kJ/mol||N/A||Tsang, 1996|
Reaction thermochemistry data
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Data compiled by: José A. Martinho Simões
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.
C12H7MnO5 (g) = C5MnO5 (g) + (g)
By formula: C12H7MnO5 (g) = C5MnO5 (g) + C7H7 (g)
|rH°||135. ± 19.||kJ/mol||ICR/PES||Martinho Simões, Schultz, et al., 1985||Please also see Martinho Simões and Beauchamp, 1990. The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 830. ± 19. kJ/mol, using Mn(CO)5(Bz) as the neutral precursor, together with the adiabatic ionization energy of Bz radical, 694.7 ± 1.9 kJ/mol Martinho Simões, Schultz, et al., 1985. The enthalpy of formation relies on -642.5 ± 9.4 kJ/mol for the enthalpy of formation of Mn(CO)5(Bz)(g)|
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes
Tsang, W., Heats of Formation of Organic Free Radicals by Kinetic Methods in Energetics of Organic Free Radicals, Martinho Simoes, J.A.; Greenberg, A.; Liebman, J.F., eds., Blackie Academic and Professional, London, 1996, 22-58. [all data]
Martinho Simões, Schultz, et al., 1985
Martinho Simões, J.A.; Schultz, J.C.; Beauchamp, J.L., Organometallics, 1985, 4, 1238. [all data]
Martinho Simões and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L., Chem. Rev., 1990, 90, 629. [all data]
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
fH°gas Enthalpy of formation of gas at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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