- InChI
- InChI=1S/C9H20S/c1-5-7-8-10-9(3,4)6-2/h5-8H2,1-4H3
- InChI Key
- PAENQPSFTOECFO-UHFFFAOYSA-N
- Formula
- C9H20S
- SMILES
- CCCCSC(C)(C)CC
- Molecular Weight1
- 160.32
- 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 | -201.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.708 | Crippen Calculated Property | |
| McVol | 154.020 | ml/mol | McGowan Calculated Property |
| Inp | [1092.00; 1092.00] |
|
|
| Inp | 1092.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Tboil | 456.67 | K | Relay (1.0) Calculated Property |
| Tfus | 185.08 | 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 | [333.13; 418.56] | J/mol×K | [471.07; 666.63] |
|
| Cp,gas | 333.13 | J/mol×K | 471.07 | Joback Calculated Property |
| Cp,gas | 349.32 | J/mol×K | 503.66 | Joback Calculated Property |
| Cp,gas | 364.69 | J/mol×K | 536.26 | Joback Calculated Property |
| Cp,gas | 379.27 | J/mol×K | 568.85 | Joback Calculated Property |
| Cp,gas | 393.09 | J/mol×K | 601.44 | Joback Calculated Property |
| Cp,gas | 406.18 | J/mol×K | 634.03 | Joback Calculated Property |
| Cp,gas | 418.56 | J/mol×K | 666.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-dimethyl-4-thiaoctane.
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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