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
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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 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 |
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.
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]
Notes
Go To: Top, Gas phase ion energetics data, 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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