- InChI
- InChI=1S/C8H18S2/c1-5-6-9-10-7-8(2,3)4/h5-7H2,1-4H3
- InChI Key
- BCWAUAWMZLMXSS-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CCCSSCC(C)(C)C
- Molecular Weight1
- 178.37
- 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 | -161.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.824 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Inp | [1225.00; 1225.00] |
|
|
| Inp | 1225.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Tboil | 484.51 | K | Relay (1.0) Calculated Property |
| Tfus | 201.83 | 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 | [343.93; 424.73] | J/mol×K | [516.77; 736.19] |
|
| Cp,gas | 343.93 | J/mol×K | 516.77 | Joback Calculated Property |
| Cp,gas | 359.54 | J/mol×K | 553.34 | Joback Calculated Property |
| Cp,gas | 374.26 | J/mol×K | 589.91 | Joback Calculated Property |
| Cp,gas | 388.10 | J/mol×K | 626.48 | Joback Calculated Property |
| Cp,gas | 401.11 | J/mol×K | 663.05 | Joback Calculated Property |
| Cp,gas | 413.31 | J/mol×K | 699.62 | Joback Calculated Property |
| Cp,gas | 424.73 | J/mol×K | 736.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-dimethyl-4,5-dithiaoctane.
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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