- InChI
- InChI=1S/C9H20S/c1-7-9(5,6)10-8(2,3)4/h7H2,1-6H3
- InChI Key
- XZQPSLQNMQTVNC-UHFFFAOYSA-N
- Formula
- C9H20S
- SMILES
- CCC(C)(C)SC(C)(C)C
- Molecular Weight1
- 160.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 63.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 3.707 | Crippen Calculated Property | |
| McVol | 154.020 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Inp | [1045.00; 1045.00] |
|
|
| Inp | 1045.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Tboil | 467.64 | K | Joback Calculated Property |
| Tc | 676.07 | K | Joback Calculated Property |
| Tfus | 230.43 | K | Joback Calculated Property |
| Vc | 0.572 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.54; 426.32] | J/mol×K | [467.64; 676.07] |
|
| Cp,gas | 335.54 | J/mol×K | 467.64 | Joback Calculated Property |
| Cp,gas | 353.20 | J/mol×K | 502.38 | Joback Calculated Property |
| Cp,gas | 369.78 | J/mol×K | 537.12 | Joback Calculated Property |
| Cp,gas | 385.33 | J/mol×K | 571.86 | Joback Calculated Property |
| Cp,gas | 399.90 | J/mol×K | 606.59 | Joback Calculated Property |
| Cp,gas | 413.55 | J/mol×K | 641.33 | Joback Calculated Property |
| Cp,gas | 426.32 | J/mol×K | 676.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,4,4-tetramethyl-3-thiahexane.
Sources
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