Benzyl methyl sulfide
- Formula: C8H10S
- Molecular weight: 138.230
- IUPAC Standard InChI: InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
- IUPAC Standard InChIKey: OFQPKKGMNWASPN-UHFFFAOYSA-N
- CAS Registry Number: 766-92-7
- 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: Benzene, [(methylthio)methyl]-; Sulfide, benzyl methyl; Methyl benzyl sulfide; 1-Phenyl-2-thiapropane; Methylthiomethylbenzene; α-(Methylthio)toluene; Benzyl methyl sulphide; NSC 75125; [(Methylsulfanyl)methyl]benzene
- 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:
- Options:
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 thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 19.0 ± 0.7 | kcal/mol | Ccr | Mackle and Mayrick, 1962 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.2 | PE | Glass, Broeker, et al., 1989 | LL |
| 8.64 | EI | Loudon, Maccoll, et al., 1970 | RDSH |
| 8.41 | PE | Glass, Broeker, et al., 1989 | Vertical value; LL |
| 8.42 | PE | Bock and Wagner, 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H7+ | 10.58 | ? | EI | Loudon, Maccoll, et al., 1970 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mackle and Mayrick, 1962
Mackle, H.; Mayrick, R.G.,
Studies in the thermochemistry of organic sulphides. Part 1.-The gas-phase heats of formation of phenyl methyl, phenyl ethyl, benzyl methyl, and benzyl ethyl sulphides,
Trans. Faraday Soc., 1962, 58, 33-39. [all data]
Glass, Broeker, et al., 1989
Glass, R.S.; Broeker, J.L.; Jatcko, M.E.,
Distinguishing ionization from sulfur P-type lone pair orbitals and carbon n-molecular orbitals by He I/He II photoelectron spectroscopy,
Tetrahedron, 1989, 45, 1263. [all data]
Loudon, Maccoll, et al., 1970
Loudon, A.G.; Maccoll, A.; Wong, S.K.,
Comparison between unimolecular gas phase pyrolysis and electron impact fragmentation. Part I. The mass spectra of tetralin and some related heterocycles,
J. Chem. Soc. B, 1970, 1727. [all data]
Bock and Wagner, 1972
Bock, H.; Wagner, G.,
Electron lone pairs in organic sulfides and disulfides,
Angew. Chem. Int. Ed. Engl., 1972, 11, 119. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas 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.