- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChIKey: ISTJMQSHILQAEC-UHFFFAOYSA-N
- CAS Registry Number: 565-67-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 2-Methyl-3-pentanol; Propanol, 1-isopropyl-; 4-Methyl-3-pentanol; 2-methylpentan-3-ol
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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
C6H13O- + =
By formula: C6H13O- + H+ = C6H14O
|rH°||371.4 ± 2.1||kcal/mol||G+TS||Higgins and Bartmess, 1998||gas phase|
|rH°||371.6 ± 2.0||kcal/mol||CIDC||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.|
|rH°||371.5 ± 2.8||kcal/mol||G+TS||Boand, Houriet, et al., 1983||gas phase; value altered from reference due to change in acidity scale|
|rG°||364.8 ± 2.0||kcal/mol||IMRE||Higgins and Bartmess, 1998||gas phase|
|rG°||365.0 ± 2.1||kcal/mol||H-TS||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.|
|rG°||364.9 ± 2.7||kcal/mol||CIDC||Boand, Houriet, et al., 1983||gas phase; value altered from reference due to change in acidity scale|
Go To: Top, Gas phase ion energetics data, Notes
Higgins and Bartmess, 1998
Higgins, P.R.; Bartmess, J.E., The Gas Phase Acidities of Long Chain Alcohols., Int. J. Mass Spectrom., 1998, 175, 1-2, 71-79, https://doi.org/10.1016/S0168-1176(98)00125-6 . [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]
Boand, Houriet, et al., 1983
Boand, G.; Houriet, R.; Baumann, T., The gas phase acidity of aliphatic alcohols, J. Am. Chem. Soc., 1983, 105, 2203. [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
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