- InChI
- InChI=1S/C3H4OS2/c1-3-2-5-6-4-3/h2H,1H3
- InChI Key
- KJBROCNTQJIAAF-UHFFFAOYSA-N
- Formula
- C3H4OS2
- SMILES
- CC1=CSSO1
- Molecular Weight1
- 120.19
- 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° | 32.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.93 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.174 | Crippen Calculated Property | |
| McVol | 76.540 | ml/mol | McGowan Calculated Property |
| Pc | 5981.40 | kPa | Joback Calculated Property |
| Inp | [1213.00; 1213.00] |
|
|
| Inp | 1213.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Tboil | 414.74 | K | Joback Calculated Property |
| Tc | 658.40 | K | Joback Calculated Property |
| Tfus | 345.46 | K | Joback Calculated Property |
| Vc | 0.244 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.97; 159.72] | J/mol×K | [414.74; 658.40] |
|
| Cp,gas | 124.97 | J/mol×K | 414.74 | Joback Calculated Property |
| Cp,gas | 131.94 | J/mol×K | 455.35 | Joback Calculated Property |
| Cp,gas | 138.40 | J/mol×K | 495.96 | Joback Calculated Property |
| Cp,gas | 144.37 | J/mol×K | 536.57 | Joback Calculated Property |
| Cp,gas | 149.89 | J/mol×K | 577.18 | Joback Calculated Property |
| Cp,gas | 155.00 | J/mol×K | 617.79 | Joback Calculated Property |
| Cp,gas | 159.72 | J/mol×K | 658.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-5-oxo-1,2-dithia-3-cyclopentene.
Sources
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