- Formula: C9H12O
- Molecular weight: 136.1910
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: CRBJBYGJVIBWIY-UHFFFAOYSA-N
- CAS Registry Number: 88-69-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Phenol, o-isopropyl-; o-Isopropylphenol; 2-Isopropylphenol; 2-(1-Methylethyl)phenol; o-Cumenol; Isopropylphenol, ortho; 1-Hydroxy-2-isopropylbenzene; Prodox 131; o-Hydroxycumene; NSC 5103
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Gas phase ion energetics data
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Data compiled by: John E. Bartmess
View reactions leading to C9H12O+ (ion structure unspecified)
C9H11O- + =
By formula: C9H11O- + H+ = C9H12O
|rH°||1454. ± 9.2||kJ/mol||G+TS||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale|
|rG°||1423. ± 8.4||kJ/mol||IMRE||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale|
Go To: Top, Gas phase ion energetics data, Notes
Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [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
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