Benzene, 1-methyl-4-(methylthio)-
- Formula: C8H10S
- Molecular weight: 138.230
- IUPAC Standard InChI: InChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
- IUPAC Standard InChIKey: VHILIAIEEYLJNA-UHFFFAOYSA-N
- CAS Registry Number: 623-13-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Sulfide, methyl p-tolyl; p-(Methylthio)toluene; p-Cresyl methyl sulfide; p-Tolyl methyl sulfide; Methyl p-cresyl sulfide; Methyl p-tolyl sulfide; 4-(Methylthio)toluene; p-Methylphenyl methyl sulfide; 4-Methyl-(1-thiaethyl)benzene; p-Thiocresol, S-methyl-; Methyl p-tolyl sulphide; NSC 6256; 1-Methyl-4-(methylsulfanyl)benzene
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Phase change data
Go To: Top, Gas phase ion energetics data, 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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference |
|---|---|---|
| 326.2 | 0.001 | Aldrich Chemical Company Inc., 1990 |
Gas phase ion energetics data
Go To: Top, Phase change data, 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.9 ± 0.05 | PE | Bernardi, Distefano, et al., 1975 | Vertical value; LLK |
| 7.87 | PE | Dewar, Ernstbrunner, et al., 1974 | Vertical value; LLK |
| 8.50 | PE | Dewar, Ernstbrunner, et al., 1974 | Vertical value; LLK |
Gas Chromatography
Go To: Top, Phase change data, 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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1214.4 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
References
Go To: Top, Phase change data, 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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Bernardi, Distefano, et al., 1975
Bernardi, F.; Distefano, G.; Mangini, A.; Pignataro, S.; Spunta, G.,
Photoelectron spectra of substituted anisoles thioanisoles,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 457. [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]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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