- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: ZOCHHNOQQHDWHG-UHFFFAOYSA-N
- CAS Registry Number: 623-37-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Hexan-3-ol; C2H5CH(OH)C3H7; Ethylpropylcarbinol; Hexanol-(3)
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Gas phase ion energetics data
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Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
|9.63 ± 0.03||PE||Ashmore and Burgess, 1977||LLK|
|10.15||PE||Ashmore and Burgess, 1977||Vertical value; LLK|
C6H13O- + =
By formula: C6H13O- + H+ = C6H14O
|rH°||372.0 ± 2.0||kcal/mol||CIDC||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
|rG°||365.4 ± 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
Ashmore and Burgess, 1977
Ashmore, F.S.; Burgess, A.R., Study of Some Medium Size Alcohols and Hydroperoxides by Photoelectron Spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1247. [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
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