- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: HMSVXZJWPVIVIV-UHFFFAOYSA-N
- CAS Registry Number: 3970-62-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 2,2-Dimethyl-3-pentanol; 2,2-dimethylpentan-3-ol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase ion energetics data
Go To: Top, References, Notes
Data compiled by: John E. Bartmess
C7H15O- + =
By formula: C7H15O- + H+ = C7H16O
|rH°||1547. ± 8.4||kJ/mol||D-EA||Mihalick, Gatev, et al., 1996||gas phase; Derived BDE: 104.2±2.8 kcal/mol|
|rH°||1548. ± 8.8||kJ/mol||G+TS||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale|
|rG°||1520. ± 9.2||kJ/mol||H-TS||Mihalick, Gatev, et al., 1996||gas phase; Derived BDE: 104.2±2.8 kcal/mol|
|rG°||1520. ± 8.4||kJ/mol||IMRE||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale|
Go To: Top, Gas phase ion energetics data, Notes
Mihalick, Gatev, et al., 1996
Mihalick, J.E.; Gatev, G.G.; Brauman, J.I., Electron Photodetachment Spectroscopy of Solvated Anions: RO.HF- or ROH.F-?, J. Am. Chem. Soc., 1996, 118, 49, 12424, https://doi.org/10.1021/ja954202k . [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [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
- Customer support for NIST Standard Reference Data products.