Benzoic acid, 4-iodo-, methyl ester
- Formula: C8H7IO2
- Molecular weight: 262.0445
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: DYUWQWMXZHDZOR-UHFFFAOYSA-N
- CAS Registry Number: 619-44-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzoic acid, p-iodo-, methyl ester; Methyl p-iodobenzoate; Methyl 4-iodobenzoate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
|8.73||PE||Behan, Johnstone, et al., 1976||LLK|
|9.10||EI||Howe and Williams, 1969||RDSH|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C7H4OI+||11.08||?||EI||Howe and Williams, 1969||RDSH|
Go To: Top, Gas phase ion energetics data, Notes
Behan, Johnstone, et al., 1976
Behan, J.M.; Johnstone, R.A.W.; Bentley, T.W., An evaluation of empirical methods for calculating the ionization potentials of substituted benzenes, Org. Mass Spectrom., 1976, 11, 207. [all data]
Howe and Williams, 1969
Howe, I.; Williams, D.H., Calculation and qualitative predictions of mass spectra. Mono- and paradisubstituted benzenes, J. Am. Chem. Soc., 1969, 91, 7137. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy
- 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.