- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: HMNKTRSOROOSPP-UHFFFAOYSA-N
- CAS Registry Number: 620-17-7
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: Phenol, m-ethyl-; m-Ethylphenol; 1-Ethyl-3-hydroxybenzene; 3-Ethylphenol; 1-Hydroxy-3-ethylbenzene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
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 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C8H10O+ (ion structure unspecified)
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C7H7O+||10.8 ± 0.1||CH3||EI||Tait, Shannon, et al., 1962||RDSH|
C8H9O- + =
By formula: C8H9O- + H+ = C8H10O
|rH°||1461. ± 8.8||kJ/mol||G+TS||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale; B|
|rG°||1433. ± 8.4||kJ/mol||IMRE||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale; B|
Go To: Top, Gas phase ion energetics data, Notes
Tait, Shannon, et al., 1962
Tait, J.M.S.; Shannon, T.W.; Harrison, A.G., The structure of substituted C7 ions from benzyl derivatives at the appearance potential threshold, J. Am. Chem. Soc., 1962, 84, 4. [all data]
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:
AE Appearance energy 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.