- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: CETWDUZRCINIHU-UHFFFAOYSA-N
- CAS Registry Number: 543-49-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: s-Heptyl alcohol; Amyl methyl carbinol; Methyl amyl carbinol; 2-Heptyl alcohol; 2-Hydroxyheptane; CH3(CH2)4CHOHCH3; Heptanol-2; n-Heptan-2-ol; Heptan-2-ol; 1-Methylhexanol; NSC 2220
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Reaction thermochemistry 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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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C7H15O- + =
By formula: C7H15O- + H+ = C7H16O
|rH°||372.4 ± 2.0||kcal/mol||CIDC||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
|rG°||365.8 ± 2.1||kcal/mol||H-TS||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
By formula: C7H16O = C7H14 + H2O
|rH°||7.98 ± 0.05||kcal/mol||Cm||Wiberg, Wasserman, et al., 1984||liquid phase; Heat of hydration; ALS|
Go To: Top, Reaction thermochemistry data, Notes
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]
Wiberg, Wasserman, et al., 1984
Wiberg, K.B.; Wasserman, D.J.; Martin, E., Enthalpies of hydration of alkenes. 2. The n-heptenes and n-pentenes, J. Phys. Chem., 1984, 88, 3684-3688. [all data]
Go To: Top, Reaction thermochemistry 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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