- InChI
- InChI=1S/C7H14S2/c1-5-6-8-9-7(2,3)4/h5H,1,6H2,2-4H3
- InChI Key
- SHJCLWYJLALLDH-UHFFFAOYSA-N
- Formula
- C7H14S2
- SMILES
- C=CCSSC(C)(C)C
- Molecular Weight1
- 162.32
- 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 | -39.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 137.890 | ml/mol | McGowan Calculated Property |
| Inp | 1098.00 | NIST | |
| Tboil | 455.19 | K | Relay (1.0) Calculated Property |
| Tfus | 188.44 | 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 | [281.90; 352.97] | J/mol×K | [490.57; 718.88] | 
|
| Cp,gas | 281.90 | J/mol×K | 490.57 | Joback Calculated Property |
| Cp,gas | 295.82 | J/mol×K | 528.62 | Joback Calculated Property |
| Cp,gas | 308.86 | J/mol×K | 566.67 | Joback Calculated Property |
| Cp,gas | 321.07 | J/mol×K | 604.72 | Joback Calculated Property |
| Cp,gas | 332.46 | J/mol×K | 642.78 | Joback Calculated Property |
| Cp,gas | 343.09 | J/mol×K | 680.83 | Joback Calculated Property |
| Cp,gas | 352.97 | J/mol×K | 718.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,6-dimethyl-4,5-dithia-1-heptene.
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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