- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChI:
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- 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
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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°||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|
+ = ( )
By formula: F- + C7H16O = (F- C7H16O)
|rH°||141.4||kJ/mol||N/A||Mihalick, Gatev, et al., 1996||gas phase; affinity derived using a ROH..F. neutral binding energy of 10.3 kcal/mol.|
Go To: Top, Reaction thermochemistry 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, 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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