- InChI
- InChI=1S/C9H20S/c1-5-9(4)10-7-6-8(2)3/h8-9H,5-7H2,1-4H3
- InChI Key
- WMJKJOQJZMHMAM-UHFFFAOYSA-N
- Formula
- C9H20S
- SMILES
- CCC(C)SCCC(C)C
- Molecular Weight1
- 160.33
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -211.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.44 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.564 | Crippen Calculated Property | |
| McVol | 154.020 | ml/mol | McGowan Calculated Property |
| Tboil | 458.83 | K | Relay (1.0) Calculated Property |
| Tc | 644.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [330.80; 415.15] | J/mol×K | [473.42; 665.50] | 
|
| Cp,gas | 330.80 | J/mol×K | 473.42 | Joback Calculated Property |
| Cp,gas | 346.51 | J/mol×K | 505.43 | Joback Calculated Property |
| Cp,gas | 361.54 | J/mol×K | 537.45 | Joback Calculated Property |
| Cp,gas | 375.90 | J/mol×K | 569.46 | Joback Calculated Property |
| Cp,gas | 389.62 | J/mol×K | 601.47 | Joback Calculated Property |
| Cp,gas | 402.70 | J/mol×K | 633.49 | Joback Calculated Property |
| Cp,gas | 415.15 | J/mol×K | 665.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-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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