- InChI
- InChI=1S/C5H10S2/c1-2-4-7-5-6-3-1/h1-5H2
- InChI Key
- WUEVTTISRIDODU-UHFFFAOYSA-N
- Formula
- C5H10S2
- SMILES
- C1CCSCSC1
- Molecular Weight1
- 134.27
- 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.
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -54.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.204 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Inp | [1246.00; 1246.00] |
|
|
| Inp | 1246.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Tboil | 483.71 | K | Relay (1.0) Calculated Property |
| Tc | 736.71 | K | Relay (1.0) Calculated Property |
| Tfus | 352.75 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.67; 257.34] | J/mol×K | [437.95; 691.84] |
|
| Cp,gas | 182.67 | J/mol×K | 437.95 | Joback Calculated Property |
| Cp,gas | 197.41 | J/mol×K | 480.26 | Joback Calculated Property |
| Cp,gas | 211.19 | J/mol×K | 522.58 | Joback Calculated Property |
| Cp,gas | 224.04 | J/mol×K | 564.89 | Joback Calculated Property |
| Cp,gas | 235.99 | J/mol×K | 607.21 | Joback Calculated Property |
| Cp,gas | 247.08 | J/mol×K | 649.52 | Joback Calculated Property |
| Cp,gas | 257.34 | J/mol×K | 691.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dithiacycloheptane.
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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