- InChI
- InChI=1S/C7H16S2/c1-5-6-8-9-7(2,3)4/h5-6H2,1-4H3
- InChI Key
- UCBQXDKQZUDUBM-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CCCSSC(C)(C)C
- Molecular Weight1
- 164.33
- 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 | -145.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.576 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Inp | [1112.00; 1112.00] |
|
|
| Inp | 1112.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Tboil | 459.47 | K | Relay (1.0) Calculated Property |
| Tfus | 187.44 | 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 | [299.52; 375.22] | J/mol×K | [493.89; 717.04] |
|
| Cp,gas | 299.52 | J/mol×K | 493.89 | Joback Calculated Property |
| Cp,gas | 314.16 | J/mol×K | 531.08 | Joback Calculated Property |
| Cp,gas | 327.96 | J/mol×K | 568.27 | Joback Calculated Property |
| Cp,gas | 340.94 | J/mol×K | 605.47 | Joback Calculated Property |
| Cp,gas | 353.13 | J/mol×K | 642.66 | Joback Calculated Property |
| Cp,gas | 364.54 | J/mol×K | 679.85 | Joback Calculated Property |
| Cp,gas | 375.22 | J/mol×K | 717.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-dimethyl-3,4-dithiaheptane.
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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