- InChI
- InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3
- InChI Key
- RRGUMJYEQDVBFP-UHFFFAOYSA-N
- Formula
- C2H6OS2
- SMILES
- CSS(C)=O
- Molecular Weight1
- 110.20
- Other Names
-
- Dimethyldisulfide, S-oxide
- S-Methyl methanesulfinothioate
- Methyl methanethiosulfinate
- Methanesulfinothioic acid, S-methyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -166.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.643 | Crippen Calculated Property | |
| McVol | 77.610 | ml/mol | McGowan Calculated Property |
| Inp | [934.00; 983.00] |
|
|
| Inp | 934.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 934.00 | NIST | |
| Ip | [1339.00; 1339.00] |
|
|
| Ip | 1339.00 | NIST | |
| Ip | 1339.00 | NIST | |
| Tboil | 441.49 | K | Relay (1.0) Calculated Property |
| Tc | 741.25 | K | Relay (1.0) Calculated Property |
| Tfus | 239.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [101.67; 197.01] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.70900e+01 | |||
| Coefficient B | 2.02220e-01 | |||
| Coefficient C | 8.10000e-06 | |||
| Coefficient D | -6.04000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 101.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 116.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 131.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 145.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 157.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 168.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 178.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 186.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 192.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 197.01 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to S-METHYL METHANETHIOSULPHINATE.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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