- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: KRIMXCDMVRMCTC-UHFFFAOYSA-N
- CAS Registry Number: 625-23-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Butyldimethylcarbinol; 2-Methyl-2-hexanol; 2-Methyl-2-hydroxyhexane; 1,1-Dimethyl-1-pentanol; 2-Methyl-2-hexanoI; Methyl-2 hexanol-2; 2-methylhexan-2-ol
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled by: John E. Bartmess
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C7H15O- + =
By formula: C7H15O- + H+ = C7H16O
|rH°||1555. ± 8.8||kJ/mol||G+TS||Higgins and Bartmess, 1998||gas phase|
|rH°||1555. ± 12.||kJ/mol||G+TS||Boand, Houriet, et al., 1983||gas phase; value altered from reference due to change in acidity scale|
|rG°||1528. ± 8.4||kJ/mol||IMRE||Higgins and Bartmess, 1998||gas phase|
|rG°||1527. ± 11.||kJ/mol||CIDC||Boand, Houriet, et al., 1983||gas phase; value altered from reference due to change in acidity scale|
Go To: Top, Reaction thermochemistry 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]
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, 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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