- InChI
- InChI=1S/C9H20S/c1-7(2)8(3)10-9(4,5)6/h7-8H,1-6H3
- InChI Key
- NVNRQXKFNCCXMQ-UHFFFAOYSA-N
- Formula
- C9H20S
- SMILES
- CC(C)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° | 55.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 3.563 | Crippen Calculated Property | |
| McVol | 154.020 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | [1008.00; 1008.00] |
|
|
| Inp | 1008.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Tboil | 469.99 | K | Joback Calculated Property |
| Tc | 674.55 | K | Joback Calculated Property |
| Tfus | 198.01 | K | Joback Calculated Property |
| Vc | 0.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.27; 422.87] | J/mol×K | [469.99; 674.55] |
|
| Cp,gas | 333.27 | J/mol×K | 469.99 | Joback Calculated Property |
| Cp,gas | 350.38 | J/mol×K | 504.08 | Joback Calculated Property |
| Cp,gas | 366.57 | J/mol×K | 538.18 | Joback Calculated Property |
| Cp,gas | 381.89 | J/mol×K | 572.27 | Joback Calculated Property |
| Cp,gas | 396.35 | J/mol×K | 606.36 | Joback Calculated Property |
| Cp,gas | 410.00 | J/mol×K | 640.46 | Joback Calculated Property |
| Cp,gas | 422.87 | J/mol×K | 674.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,4,5-tetramethyl-3-thiahexane.
Sources
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