4-tert-Butyl-1(1-thioxo-2,2-dimethyl-propyl)-benzene
- Formula: C15H22S
- Molecular weight: 234.400
- IUPAC Standard InChI: InChI=1S/C15H22S/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h7-10H,1-6H3
- IUPAC Standard InChIKey: ZPRFQKNKKXHCDW-UHFFFAOYSA-N
- CAS Registry Number: 72194-24-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1-Propanethione, 1-[4-(1,1-dimethylethyl)phenyl]-2,2-dimethyl-
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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 by: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 7.85 | PI | Takhistov, Misharev, et al., 1995 |
| 8.96 | PI | Takhistov, Misharev, et al., 1995 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C10H11OS+ | 9.59 | CH3 | PI | Takhistov, Misharev, et al., 1995 | |
| C11H13O+[(CH3)3CC6H4CO+] | 9.04 | HS | PI | Takhistov, Misharev, et al., 1995 | |
| C11H13S+[(CH3)3CC6H4CS+] | 9.54 | C4H9 | PI | Takhistov, Misharev, et al., 1995 | |
| C14H19S+ | 8.74 | CH3 | PI | Takhistov, Misharev, et al., 1995 |
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.
Takhistov, Misharev, et al., 1995
Takhistov, V.V.; Misharev, A.D.; Orlov, V.M.; Ponomarev, D.A.; Voss, J.,
Thermochemistry and mass spectrometry of aromatic compounds with tertiary alkyl groups,
Eur. Mass Spectrom., 1995, 1, 353. [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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