- InChI
- InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
- InChI Key
- TYZFMFVWHZKYSE-UHFFFAOYSA-N
- Formula
- C6H14OS
- SMILES
- CCCC(S)CCO
- 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° | -110.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.98 | kJ/mol | Joback Calculated Property |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.467 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 3763.78 | kPa | Joback Calculated Property |
| Inp | [1095.00; 1095.00] |
|
|
| Inp | 1095.00 | NIST | |
| Inp | 1095.00 | NIST | |
| I | [1847.00; 1847.00] |
|
|
| I | 1847.00 | NIST | |
| I | 1847.00 | NIST | |
| Tboil | 491.28 | K | Joback Calculated Property |
| Tc | 675.50 | K | Joback Calculated Property |
| Tfus | 239.66 | K | Joback Calculated Property |
| Vc | 0.439 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.21; 308.46] | J/mol×K | [491.28; 675.50] |
|
| Cp,gas | 253.21 | J/mol×K | 491.28 | Joback Calculated Property |
| Cp,gas | 263.51 | J/mol×K | 521.98 | Joback Calculated Property |
| Cp,gas | 273.36 | J/mol×K | 552.69 | Joback Calculated Property |
| Cp,gas | 282.76 | J/mol×K | 583.39 | Joback Calculated Property |
| Cp,gas | 291.74 | J/mol×K | 614.09 | Joback Calculated Property |
| Cp,gas | 300.30 | J/mol×K | 644.80 | Joback Calculated Property |
| Cp,gas | 308.46 | J/mol×K | 675.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Mercapto-1-hexanol.
Sources
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