- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: QNVRIHYSUZMSGM-UHFFFAOYSA-N
- CAS Registry Number: 626-93-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Species with the same structure:
- Other names: n-C4H9CH(OH)CH3; n-Butylmethylcarbinol; Hexanol-(2); sec-Hexyl alcohol; n-Hexan-2-ol; 2-Hexyl alcohol; Hexan-2-ol
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- Other data available:
- Data at other public NIST sites:
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Reaction thermochemistry 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
C6H13O- + =
By formula: C6H13O- + H+ = C6H14O
|rH°||1560. ± 8.4||kJ/mol||CIDC||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
|rG°||1532. ± 8.8||kJ/mol||H-TS||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
By formula: C6H14O = C6H12 + H2O
|rH°||33.8 ± 0.3||kJ/mol||Cm||Wiberg, Wasserman, et al., 1984||liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS|
By formula: C6H12 + H2O = C6H14O
|rH°||-34.5 ± 0.3||kJ/mol||Cm||Wiberg and Wasserman, 1981||liquid phase; solvent: Water; Hydration; ALS|
+ = +
By formula: C4F6O3 + C6H14O = C2HF3O2 + C8H13F3O2
|rH°||-89.33 ± 0.04||kJ/mol||Cm||Wiberg and Wasserman, 1981||liquid phase; 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]
Wiberg and Wasserman, 1981
Wiberg, K.B.; Wasserman, D.J., Enthalpies of hydration of alkenes. 1. The n-hexenes, J. Am. Chem. Soc., 1981, 103, 6563-6566. [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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