- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: VTBOTOBFGSVRMA-UHFFFAOYSA-N
- CAS Registry Number: 590-67-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 1-Methylcyclohexanol; 1-Methyl-1-cyclohexanol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
|9.8 ± 0.2||EI||Fortin, Forest, et al., 1973||LLK|
C7H13O- + =
By formula: C7H13O- + H+ = C7H14O
|rH°||371.9 ± 2.0||kcal/mol||CIDC||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
|rG°||365.3 ± 2.1||kcal/mol||H-TS||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
Go To: Top, Gas phase ion energetics data, Notes
Fortin, Forest, et al., 1973
Fortin, C.J.; Forest, M.; Vaziri, C.; Gravel, D.; Rousseau, Y., Spectrometrie de masse des cyclohexanones gem-diphenylees. I. Localisation de la charge positive, Can. J. Chem., 1973, 51, 3445. [all data]
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.