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:
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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Gas phase thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -45.4 | kcal/mol | Ion | Turecek, Brabec, et al., 1988 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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 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, 2 | 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 thermochemistry data, 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. Preparation, ionization energies and heats of formation of methane-, ethene-, ethyne- and benzenesulfenic acid,
Collect. Czech. Chem. Commun., 1988, 53, 2140-2158. [all data]
Turecek, Brabec, et al., 1988, 2
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 thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.