Cyclohexanol, 4-methyl-, cis-
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChI: InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7+
- IUPAC Standard InChIKey: MQWCXKGKQLNYQG-KNVOCYPGSA-N
- CAS Registry Number: 7731-28-4
- 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. - Stereoisomers:
- Other names: cis-4-Methylcyclohexanol; 4-Methylcyclohexanol, (Z)-; 4-Methyl cyclohexanol, cis-; 4-Methylcyclohexanol
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Gas phase ion energetics 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: John E. Bartmess
De-protonation reactions
C7H13O- + =
By formula: C7H13O- + H+ = C7H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1559. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
| ΔrH° | 1555. ± 9.2 | kJ/mol | G+TS | Majumdar, Clairet, et al., 1992 | gas phase; Acidity adjusted to 1987 acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1531. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
| ΔrG° | 1528. ± 8.8 | kJ/mol | CIDC | Majumdar, Clairet, et al., 1992 | gas phase; Acidity adjusted to 1987 acidity scale |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Majumdar, Clairet, et al., 1992
Majumdar, T.K.; Clairet, F.; Tabet, J.C.; Cooks, R.G.,
PAs of halogenated uridines,
J. Am. Chem . Soc., 1992, 114, 2897. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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