- InChI
- InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
- InChI Key
- XYONNSVDNIRXKZ-UHFFFAOYSA-N
- Formula
- C2H6O2S2
- SMILES
- CSS(C)(=O)=O
- Molecular Weight1
- 126.20
- CAS
- 2949-92-0
- Other Names
-
- Methyl methanethiolsulfonate
- S-Methyl methanethiosulfonate
- Methanesulfonothioic acid, S-methyl ester
- Methanesulfonic acid, thio-, S-methyl ester
- Methyl methanesulfonothioate
- S-Methyl methanesulfonothioate
- Methyl methanethiosulfonate
- S-methyl methylthiosulfonate
- dimethyl thiosulfonate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -469.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.50 | kJ/mol | Joback Calculated Property |
| log10WS | -0.37 | Crippen Calculated Property | |
| logPoct/wat | 0.309 | Crippen Calculated Property | |
| McVol | 83.480 | ml/mol | McGowan Calculated Property |
| Pc | 6524.67 | kPa | Joback Calculated Property |
| Inp | [1065.50; 1092.00] |
|
|
| Inp | 1088.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1065.50 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1065.50 | NIST | |
| Tboil | 361.72 | K | Joback Calculated Property |
| Tc | 552.01 | K | Joback Calculated Property |
| Tfus | 185.26 | K | Joback Calculated Property |
| Vc | 0.328 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.17; 169.54] | J/mol×K | [361.72; 552.01] |
|
| Cp,gas | 133.17 | J/mol×K | 361.72 | Joback Calculated Property |
| Cp,gas | 139.64 | J/mol×K | 393.43 | Joback Calculated Property |
| Cp,gas | 145.97 | J/mol×K | 425.15 | Joback Calculated Property |
| Cp,gas | 152.14 | J/mol×K | 456.86 | Joback Calculated Property |
| Cp,gas | 158.13 | J/mol×K | 488.58 | Joback Calculated Property |
| Cp,gas | 163.94 | J/mol×K | 520.29 | Joback Calculated Property |
| Cp,gas | 169.54 | J/mol×K | 552.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-Methyl methanethiosulphonate.
Sources
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