- InChI
- InChI=1S/C6H14S2/c1-5-8-6(2,3)7-4/h5H2,1-4H3
- InChI Key
- FWUMVNGWZBEAIO-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CCSC(C)(C)SC
- Molecular Weight1
- 150.31
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -105.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.88 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.839 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Inp | [1046.00; 1046.00] |
|
|
| Inp | 1046.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Tboil | 452.60 | K | Relay (1.0) Calculated Property |
| Tfus | 224.20 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [257.06; 326.87] | J/mol×K | [471.01; 697.89] |
|
| Cp,gas | 257.06 | J/mol×K | 471.01 | Joback Calculated Property |
| Cp,gas | 270.59 | J/mol×K | 508.82 | Joback Calculated Property |
| Cp,gas | 283.33 | J/mol×K | 546.64 | Joback Calculated Property |
| Cp,gas | 295.30 | J/mol×K | 584.45 | Joback Calculated Property |
| Cp,gas | 306.53 | J/mol×K | 622.27 | Joback Calculated Property |
| Cp,gas | 317.05 | J/mol×K | 660.08 | Joback Calculated Property |
| Cp,gas | 326.87 | J/mol×K | 697.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-dimethyl-2,4-dithiahexane.
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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