p-Benzylphenol
- Formula: C13H12O
- Molecular weight: 184.2338
- IUPAC Standard InChI: InChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2
- IUPAC Standard InChIKey: HJSPWKGEPDZNLK-UHFFFAOYSA-N
- CAS Registry Number: 101-53-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Phenol, 4-(phenylmethyl)-; p-Cresol, α-phenyl-; α-Phenyl-p-cresol; p-Hydroxydiphenyl methane; Fesiasept; 4-(Phenylmethyl)phenol; 4-Benzylphenol; 4-Hydroxydiphenylmethane; 4-Hydroxyditane; AI3-1932; NSC 8078; 7563-63-5
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.45 ± 0.05 | EI | Pignataro, Mancini, et al., 1972 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H6O+ | 11.1 ± 0.2 | C6H5 | EI | Innorta, Torroni, et al., 1973 | |
| C13H11+ | 11.0 ± 0.2 | OH | EI | Innorta, Torroni, et al., 1973 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 295.4 | Wang, Hou, et al., 2007 | 30. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pignataro, Mancini, et al., 1972
Pignataro, S.; Mancini, V.; Innorta, G.; Distefano, G.,
Ionization energies and ring orbital interaction in diarylmethanes and diaryleth,
Z. Naturforsch., 1972, 27, 534. [all data]
Innorta, Torroni, et al., 1973
Innorta, G.; Torroni, S.; Pignataro, S.; Mancini, V.,
The activation energy as guiding factor in the fragmentation of substituted diphenylmethanes,
Org. Mass Spectrom., 1973, 7, 1399. [all data]
Wang, Hou, et al., 2007
Wang, G.; Hou, Z.; Sun, Y.; Liu, Y.; Xie, B.; Liu, S.,
Investigation of pyrolysis behavior of fenoxycarb using PY-GC-MS assisted with chemometric methods,
Chem. Anal., 2007, 52, 141-156. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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