- InChI
- InChI=1S/C6H14OS/c1-3-6(7)4-5(2)8/h5-8H,3-4H2,1-2H3
- InChI Key
- CLTCBQPTBSNRIK-UHFFFAOYSA-N
- Formula
- C6H14OS
- SMILES
- CCC(O)CC(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° | -112.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.59 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.466 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Inp | [1012.00; 1049.00] |
|
|
| Inp | 1049.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1023.00 | NIST | |
| I | [1658.00; 1682.00] |
|
|
| I | 1658.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1658.00 | NIST | |
| Tboil | 490.84 | K | Joback Calculated Property |
| Tc | 679.02 | K | Joback Calculated Property |
| Tfus | 224.66 | K | Joback Calculated Property |
| Vc | 0.432 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.45; 310.08] | J/mol×K | [490.84; 679.02] |
|
| Cp,gas | 253.45 | J/mol×K | 490.84 | Joback Calculated Property |
| Cp,gas | 264.05 | J/mol×K | 522.20 | Joback Calculated Property |
| Cp,gas | 274.16 | J/mol×K | 553.57 | Joback Calculated Property |
| Cp,gas | 283.81 | J/mol×K | 584.93 | Joback Calculated Property |
| Cp,gas | 293.00 | J/mol×K | 616.29 | Joback Calculated Property |
| Cp,gas | 301.75 | J/mol×K | 647.66 | Joback Calculated Property |
| Cp,gas | 310.08 | J/mol×K | 679.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Mercaptohexan-3-ol.
Sources
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