- InChI
- InChI=1S/C6H14OS/c1-4(5(2)7)6(3)8/h4-8H,1-3H3
- InChI Key
- IAEUQPZVOWVIES-UHFFFAOYSA-N
- Formula
- C6H14OS
- SMILES
- CC(O)C(C)C(C)S
- Molecular Weight1
- 134.24
- 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.
- I : 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° | -115.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.20 | kJ/mol | Joback Calculated Property |
| log10WS | -1.65 | Crippen Calculated Property | |
| logPoct/wat | 1.322 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 3838.78 | kPa | Joback Calculated Property |
| Inp | [1022.00; 1063.00] |
|
|
| Inp | 1063.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 1037.00 | NIST | |
| I | [1671.00; 1687.00] |
|
|
| I | 1671.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1687.00 | NIST | |
| I | 1671.00 | NIST | |
| Tboil | 490.40 | K | Joback Calculated Property |
| Tc | 682.69 | K | Joback Calculated Property |
| Tfus | 209.66 | K | Joback Calculated Property |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.69; 311.73] | J/mol×K | [490.40; 682.69] |
|
| Cp,gas | 253.69 | J/mol×K | 490.40 | Joback Calculated Property |
| Cp,gas | 264.59 | J/mol×K | 522.45 | Joback Calculated Property |
| Cp,gas | 274.99 | J/mol×K | 554.50 | Joback Calculated Property |
| Cp,gas | 284.88 | J/mol×K | 586.54 | Joback Calculated Property |
| Cp,gas | 294.29 | J/mol×K | 618.59 | Joback Calculated Property |
| Cp,gas | 303.24 | J/mol×K | 650.64 | Joback Calculated Property |
| Cp,gas | 311.73 | J/mol×K | 682.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Mercapto-3-methylpentan-2-ol.
Sources
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