- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: WMXCDAVJEZZYLT-UHFFFAOYSA-N
- CAS Registry Number: 75-66-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: tert-Butanethiol; tert-Butylmercaptan; tert-Butylthiol; 1,1-Dimethylethanethiol; 2-Isobutanethiol; 2-Methyl-2-propanethiol; tert-C4H9SH; t-Butyl mercaptan; tert-Butyl hydrosulfide; 2-Methyl-2-propylthiol; tertiary-Butyl mercaptan; 2-methylpropane-2-thiol
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
|Proton affinity (review)||816.4||kJ/mol||N/A||Hunter and Lias, 1998||HL|
|Gas basicity||785.1||kJ/mol||N/A||Hunter and Lias, 1998||HL|
Ionization energy determinations
|9.03||PE||Ogata, Onizuka, et al., 1973||LLK|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C3H7S+||11.4 ± 0.15||CH3||EI||Broer and Weringa, 1980||LLK|
C4H9S- + =
By formula: C4H9S- + H+ = C4H10S
|rH°||1475. ± 9.2||kJ/mol||G+TS||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale; B|
|rG°||1449. ± 8.4||kJ/mol||IMRE||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale; B|
Go To: Top, Gas phase ion energetics data, Notes
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]
Ogata, Onizuka, et al., 1973
Ogata, H.; Onizuka, H.; Nihei, Y.; Kamada, H., The photoelectron spectra of alcohols, mercaptans and amines, Bull. Chem. Soc. Jpn., 1973, 46, 3036. [all data]
Broer and Weringa, 1980
Broer, W.J.; Weringa, W.D., Potential energy profiles for the unimolecular reactions of [C3H7S]+ ions, Org. Mass Spectrom., 1980, 15, 229. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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