- InChI
- InChI=1S/C8H16S2/c1-9-7-5-3-4-6-8(7)10-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
- InChI Key
- UOVDQPXIRFSKOV-HTQZYQBOSA-N
- Formula
- C8H16S2
- SMILES
- CS[C@H]1CCCC[C@@H]1SC
- Molecular Weight1
- 176.35
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -97.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.51 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.024 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Inp | 1389.00 | NIST | |
| Tboil | 522.51 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [328.48; 425.79] | J/mol×K | [535.08; 783.68] | 
|
| Cp,gas | 328.48 | J/mol×K | 535.08 | Joback Calculated Property |
| Cp,gas | 347.59 | J/mol×K | 576.51 | Joback Calculated Property |
| Cp,gas | 365.54 | J/mol×K | 617.95 | Joback Calculated Property |
| Cp,gas | 382.33 | J/mol×K | 659.38 | Joback Calculated Property |
| Cp,gas | 397.96 | J/mol×K | 700.81 | Joback Calculated Property |
| Cp,gas | 412.45 | J/mol×K | 742.25 | Joback Calculated Property |
| Cp,gas | 425.79 | J/mol×K | 783.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,2-bis-(methylthio), trans.
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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