Di-tert-butyl disulfide
- Formula: C8H18S2
- Molecular weight: 178.359
- IUPAC Standard InChI: InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
- IUPAC Standard InChIKey: BKCNDTDWDGQHSD-UHFFFAOYSA-N
- CAS Registry Number: 110-06-5
- 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: Disulfide, bis(1,1-dimethylethyl); tert-Butyl disulfide; Bis(1,1-dimethylethyl) disulfide; 2,2,5,5-Tetramethyl-3,4-dithiahexane; Di-tert-butyl disulphide; Bis(1,1-dimethylethyl) disulphide; (tert-C4H9S)2; t-Butyl disulfide; 2-(tert-Butyldisulfanyl)-2-methylpropane
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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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.15 | PE | Guimon, Guimon, et al., 1975 | Vertical value; LLK |
| 8.17 | PE | Wagner and Bock, 1974 | Vertical value; LLK |
| 8.20 | PE | Baker, Brisk, et al., 1974 | Vertical value; LLK |
| 8.17 | PE | Bock, Wagner, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H9S2+ | 9.1 ± 0.8 | (CH3)3C | EI | Hawari, Griller, et al., 1986 | LBLHLM |
References
Go To: Top, 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.
Guimon, Guimon, et al., 1975
Guimon, M.-F.; Guimon, C.; Pfister-Guillouzo, G.,
Application of photoelectron spectroscopy to conformational analysis of 1,2,4-trithiolanes,
Tetrahedron Lett., 1975, 7, 441. [all data]
Wagner and Bock, 1974
Wagner, G.; Bock, H.,
Photoelektronenspektren und molekuleigenschaften, XXVI. Die delokalisation von schwefel-elektronenpaaren in alkylsulfiden und -disulfiden,
Chem. Ber., 1974, 107, 68. [all data]
Baker, Brisk, et al., 1974
Baker, A.D.; Brisk, M.; Gellender, M.,
Photoelectron spectra and dihedral angles of disulfides,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 227. [all data]
Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J.,
Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten,
Chem. Ber., 1972, 105, 3850. [all data]
Hawari, Griller, et al., 1986
Hawari, J.A.; Griller, D.; Lossing, F.P.,
Thermochemistry of perthiyl radicals,
J. Am. Chem. Soc., 1986, 108, 3273. [all data]
Notes
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
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