Tricyclo[2.2.1.0(2,6)]heptane
- Formula: C7H10
- Molecular weight: 94.1543
- IUPAC Standard InChIKey: BYBGSCXPMGPLFP-UHFFFAOYSA-N
- CAS Registry Number: 279-19-6
- 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: Nortricyclane; Nortricyclen; Nortricyclene; Tricyclo[2.2.1.0dimethyl2dimethyl,dimethyl6]heptane; Tricyclo[2.2.1.0(2.6)]heptane; Tricyclo[2.2.1.0^2^,^6]heptane
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 80. ± 20. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C7H10+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.7 | PE | Della, Pigou, et al., 1985 | LBLHLM |
8.92 ± 0.01 | EI | Holmes and McGillivray, 1971 | LLK |
9.02 | PE | Bodor, Dewar, et al., 1970 | RDSH |
9.37 | PE | Della, Pigou, et al., 1985 | Vertical value; LBLHLM |
9.40 | PE | Haselbach, Heilbronner, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H6+ | 9.44 ± 0.01 | C2H4 | EI | Holmes and McGillivray, 1971 | LLK |
C6H7+ | 10.17 ± 0.01 | CH3 | EI | Holmes and McGillivray, 1971 | LLK |
C7H9+ | 11.3 ± 0.01 | H | EI | Holmes and McGillivray, 1971 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Chemical Concepts |
NIST MS number | 156636 |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Della, Pigou, et al., 1985
Della, E.W.; Pigou, P.E.; Livett, M.K.; Peel, J.B.,
The photoelectron spectrum of 1-bromotricyclene,
Aust. J. Chem., 1985, 38, 69. [all data]
Holmes and McGillivray, 1971
Holmes, J.L.; McGillivray, D.,
The mass spectra of isomeric hydrocarbons-I: Norbornene and nortricyclene; The mechanisms and energetics of their fragmentations,
Org. Mass Spectrom., 1971, 5, 1349. [all data]
Bodor, Dewar, et al., 1970
Bodor, N.; Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. III. Ionization potentials of some cyclic hydrocarbons and their derivatives, and heats of formation and ionization potentials calculated by the MINDO SCF MO method,
J. Am. Chem. Soc., 1970, 92, 19. [all data]
Haselbach, Heilbronner, et al., 1972
Haselbach, E.; Heilbronner, E.; Musso, H.; Schmelzer, A.,
Notiz uber die Photoelektronen-Spektren des Nortricyclens und des Triasterans,
Helv. Chim. Acta, 1972, 55, 302. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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