- InChI
- InChI=1S/C7H16S4/c1-4-6-9-11-7(5-2)10-8-3/h7H,4-6H2,1-3H3
- InChI Key
- HBUSMEMTOQGBMV-UHFFFAOYSA-N
- Formula
- C7H16S4
- SMILES
- CCCSSC(CC)SSC
- Molecular Weight1
- 228.46
- CAS
- 126876-30-0
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -80.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.525 | Crippen Calculated Property | |
| McVol | 174.890 | ml/mol | McGowan Calculated Property |
| Inp | [1616.00; 1685.00] |
|
|
| Inp | 1685.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1646.50 | NIST | |
| Inp | 1646.50 | NIST | |
| Inp | 1685.00 | NIST | |
| Tboil | 554.71 | K | Relay (1.0) Calculated Property |
| Tfus | 214.66 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [396.93; 468.03] | J/mol×K | [634.44; 887.67] |
|
| Cp,gas | 396.93 | J/mol×K | 634.44 | Joback Calculated Property |
| Cp,gas | 411.32 | J/mol×K | 676.64 | Joback Calculated Property |
| Cp,gas | 424.71 | J/mol×K | 718.85 | Joback Calculated Property |
| Cp,gas | 437.10 | J/mol×K | 761.05 | Joback Calculated Property |
| Cp,gas | 448.46 | J/mol×K | 803.26 | Joback Calculated Property |
| Cp,gas | 458.77 | J/mol×K | 845.46 | Joback Calculated Property |
| Cp,gas | 468.03 | J/mol×K | 887.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,5,7,8-Tetrathianonane, 6-ethyl.
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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