- InChI
- InChI=1S/C3H8O2S2/c1-6-3-7(2,4)5/h3H2,1-2H3
- InChI Key
- MPHBIACXKTZAFW-UHFFFAOYSA-N
- Formula
- C3H8O2S2
- SMILES
- CSCS(C)(=O)=O
- Molecular Weight1
- 140.23
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -367.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.59 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.352 | Crippen Calculated Property | |
| McVol | 97.570 | ml/mol | McGowan Calculated Property |
| Inp | [1203.70; 1203.70] |
|
|
| Inp | 1203.70 | NIST | |
| Inp | 1203.70 | NIST | |
| Tfus | 342.06 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.16; 211.30] | J/mol×K | [384.80; 574.23] |
|
| Cp,gas | 166.16 | J/mol×K | 384.80 | Joback Calculated Property |
| Cp,gas | 174.30 | J/mol×K | 416.37 | Joback Calculated Property |
| Cp,gas | 182.22 | J/mol×K | 447.94 | Joback Calculated Property |
| Cp,gas | 189.88 | J/mol×K | 479.51 | Joback Calculated Property |
| Cp,gas | 197.30 | J/mol×K | 511.09 | Joback Calculated Property |
| Cp,gas | 204.44 | J/mol×K | 542.66 | Joback Calculated Property |
| Cp,gas | 211.30 | J/mol×K | 574.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dithiapentane 2,2-dioxide.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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