- InChI
- InChI=1S/C8H18S/c1-5-7-9-8(3,4)6-2/h5-7H2,1-4H3
- InChI Key
- PWRUEOPIIYEEHA-UHFFFAOYSA-N
- Formula
- C8H18S
- SMILES
- CCCSC(C)(C)CC
- Molecular Weight1
- 146.29
- 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).
- 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 | -181.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.67 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.318 | Crippen Calculated Property | |
| McVol | 139.930 | ml/mol | McGowan Calculated Property |
| Inp | [1000.00; 1000.00] |
|
|
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Tboil | 435.45 | K | Relay (1.0) Calculated Property |
| Tfus | 180.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [289.45; 369.85] | J/mol×K | [448.19; 646.04] |
|
| Cp,gas | 289.45 | J/mol×K | 448.19 | Joback Calculated Property |
| Cp,gas | 304.70 | J/mol×K | 481.17 | Joback Calculated Property |
| Cp,gas | 319.18 | J/mol×K | 514.14 | Joback Calculated Property |
| Cp,gas | 332.90 | J/mol×K | 547.12 | Joback Calculated Property |
| Cp,gas | 345.91 | J/mol×K | 580.09 | Joback Calculated Property |
| Cp,gas | 358.21 | J/mol×K | 613.07 | Joback Calculated Property |
| Cp,gas | 369.85 | J/mol×K | 646.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-dimethyl-4-thiaheptane.
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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