Benzene, [(1,1-dimethylethyl)thio]-
- Formula: C10H14S
- Molecular weight: 166.283
- IUPAC Standard InChI: InChI=1S/C10H14S/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3
- IUPAC Standard InChIKey: VEUCZKAZCRSEMP-UHFFFAOYSA-N
- CAS Registry Number: 3019-19-0
- 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: Sulfide, tert-butyl phenyl; tert-Butyl Phenyl sulfide; Phenyl tert-butyl sulfide
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Gas phase ion energetics data
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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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.2 ± 0.1 | EI | Distefano, Ricci, et al., 1974 | LLK |
| 8.38 ± 0.05 | PE | Distefano, Pignataro, et al., 1974 | LLK |
| 8.40 | PE | Dewar, Ernstbrunner, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H9+ | 10.5 ± 0.1 | ? | EI | Distefano, Ricci, et al., 1974 | LLK |
| C9H11S+ | 12.1 ± 0.1 | CH3 | EI | Distefano, Ricci, et al., 1974 | LLK |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apiezon M | 130. | 1208. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
| Packed | Apiezon M | 130. | 1208. | Golovnya, Garbuzov, et al., 1978 | Chromosorb W, AW/DMS; Column length: 2.1 m |
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.
Distefano, Ricci, et al., 1974
Distefano, G.; Ricci, A.; Danieli, R.; Foffani, A.; Innorta, G.; Torroni, S.,
Mass spectrometric evidence for p π-d π bonding between sulfur and the Group IVB elements,
J. Organomet. Chem., 1974, 65, 205. [all data]
Distefano, Pignataro, et al., 1974
Distefano, G.; Pignataro, S.; Ricci, A.; Colonna, F.P.; Pietropaolo, D.,
Interactions of π-orbitals with the group IV elements studied by ionization energy measurements,
Ann. Chim., 1974, 64, 153. [all data]
Dewar, Ernstbrunner, et al., 1974
Dewar, P.S.; Ernstbrunner, E.; Gilmore, J.R.; Godfrey, M.; Mellor, J.M.,
Conformational analysis of alkyl aryl ethers and alkyl aryl sulphides by photoelectron spectroscopy,
Tetrahedron, 1974, 30, 2455. [all data]
Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V.,
Gas chromatographic retention indices for sulphur(II)-containing organic substances,
J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]
Golovnya, Garbuzov, et al., 1978
Golovnya, R.V.; Garbuzov, V.G.; Aerov, A.F.,
Gas chromatographic characterization of sulfur-containing compounds. 5. Thiophene, furan, and benzene derivatives,
Izv. Akad. Nauk SSSR Ser. Khim., 1978, 11, 2271-2274. [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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