Methanesulfenic acid
- Formula: CH4OS
- Molecular weight: 64.107
- IUPAC Standard InChI: InChI=1S/CH4OS/c1-3-2/h2H,1H3
- IUPAC Standard InChIKey: VLGWYKOEXANHJT-UHFFFAOYSA-N
- CAS Registry Number: 62965-22-4
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
View reactions leading to CH4OS+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.07 ± 0.03 | EI | Turecek, Brabec, et al., 1988 | LL |
De-protonation reactions
CH3OS- + =
By formula: CH3OS- + H+ = CH4OS
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 358.9 ± 3.1 | kcal/mol | G+TS | Downard, Bowie, et al., 1992 | gas phase; Acid: MeS-O-H. Between CF3CH2OH, MeNO2. EA < SO2.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 352.0 ± 3.0 | kcal/mol | IMRB | Downard, Bowie, et al., 1992 | gas phase; Acid: MeS-O-H. Between CF3CH2OH, MeNO2. EA < SO2.; B |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | EC-1000 | 1005. | Delabre and Bendall, 9999 | Program: not specified |
References
Go To: Top, 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.
Turecek, Brabec, et al., 1988
Turecek, F.; Brabec, L.; Vondrak, T.; Hanus, V.; Hajicek, J.; Havlas, Z.,
Sulfenic acids in the gas phase. Prepration, ionization energies and heats of gormation of methane-, ethene-, ethyne- and benzenesulfenic acid,
Collect. Czech. Chem. Commun., 1988, 53, 2140. [all data]
Downard, Bowie, et al., 1992
Downard, K.M.; Bowie, J.H.; O'Hair, R.A.J.; Krempp, M.; DePuy, C.H.,
Gas Phase Reactions of the Methylsulfinyl and Methyldisulfide Anions,
Int. J. Mass Spectrom. Ion Proc., 1992, 120, 3, 217, https://doi.org/10.1016/0168-1176(92)85050-A
. [all data]
Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F.,
Flavour ingredients from fermented dairy streams,
Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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