- InChI
- InChI=1S/C3H8S2/c1-5-3-2-4/h4H,2-3H2,1H3
- InChI Key
- SJJZGKUOHPJHDH-UHFFFAOYSA-N
- Formula
- C3H8S2
- SMILES
- CSCCS
- Molecular Weight1
- 108.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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 |
|---|---|---|---|
| ΔfusH° | 11.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.279 | Crippen Calculated Property | |
| McVol | 85.830 | ml/mol | McGowan Calculated Property |
| Inp | 938.00 | NIST | |
| Tboil | 431.50 | K | Relay (1.0) Calculated Property |
| Tc | 687.32 | K | Relay (1.0) Calculated Property |
| Tfus | 182.07 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.53; 181.16] | J/mol×K | [399.88; 620.85] | 
|
| Cp,gas | 139.53 | J/mol×K | 399.88 | Joback Calculated Property |
| Cp,gas | 147.27 | J/mol×K | 436.71 | Joback Calculated Property |
| Cp,gas | 154.69 | J/mol×K | 473.54 | Joback Calculated Property |
| Cp,gas | 161.78 | J/mol×K | 510.37 | Joback Calculated Property |
| Cp,gas | 168.56 | J/mol×K | 547.19 | Joback Calculated Property |
| Cp,gas | 175.02 | J/mol×K | 584.02 | Joback Calculated Property |
| Cp,gas | 181.16 | J/mol×K | 620.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Thia-1-butanethiol.
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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