- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: DMEGYFMYUHOHGS-UHFFFAOYSA-N
- CAS Registry Number: 291-64-5
- 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 ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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
|IE (evaluated)||9.9 ± 0.1||eV||N/A||N/A||L|
Ionization energy determinations
|9.82 ± 0.05||EI||Holmes and Lossing, 1991||LL|
|9.96||EQ||Sieck and Mautner(Meot-Ner), 1982||LBLHLM|
|9.88 ± 0.05||EI||Puttemans, 1974||LLK|
C7H13- + =
By formula: C7H13- + H+ = C7H14
|rH°||1739. ± 20.||kJ/mol||Bran||Peerboom, Rademaker, et al., 1992||gas phase; B|
|rG°||1702. ± 21.||kJ/mol||H-TS||Peerboom, Rademaker, et al., 1992||gas phase; B|
Go To: Top, Gas phase ion energetics data, Notes
Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]
Sieck and Mautner(Meot-Ner), 1982
Sieck, L.W.; Mautner(Meot-Ner), M., Ionization energies and entropies of cycloalkanes. Kinetics of free energy controlled charge-transfer reactions, J. Phys. Chem., 1982, 86, 3646. [all data]
Puttemans, J.P., Ionisation de cycloalcanes (C5 a C12) en spectroscopie photoelectronique et par impact electronique, Ing. Chim. (Brussels), 1974, 56, 64. [all data]
Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M., Stabilization of Cycloalkyl Carbanions in the Gas Phase, Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608 . [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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