- InChI
- InChI=1S/C7H16OS/c1-5(2)7(9)4-6(3)8/h5-9H,4H2,1-3H3
- InChI Key
- RTGGPWJVXQMFRP-UHFFFAOYSA-N
- Formula
- C7H16OS
- SMILES
- CC(O)CC(S)C(C)C
- Molecular Weight1
- 148.27
- 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° | -106.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 1.712 | Crippen Calculated Property | |
| McVol | 131.710 | ml/mol | McGowan Calculated Property |
| Pc | 3419.86 | kPa | Joback Calculated Property |
| Inp | [1097.00; 1135.00] |
|
|
| Inp | 1107.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1107.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1107.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1107.00 | NIST | |
| I | [1747.00; 1762.00] |
|
|
| I | 1747.00 | NIST | |
| I | 1762.00 | NIST | |
| I | 1747.00 | NIST | |
| Tboil | 513.28 | K | Joback Calculated Property |
| Tc | 703.28 | K | Joback Calculated Property |
| Tfus | 220.93 | K | Joback Calculated Property |
| Vc | 0.482 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.66; 360.09] | J/mol×K | [513.28; 703.28] |
|
| Cp,gas | 296.66 | J/mol×K | 513.28 | Joback Calculated Property |
| Cp,gas | 308.57 | J/mol×K | 544.95 | Joback Calculated Property |
| Cp,gas | 319.93 | J/mol×K | 576.61 | Joback Calculated Property |
| Cp,gas | 330.74 | J/mol×K | 608.28 | Joback Calculated Property |
| Cp,gas | 341.03 | J/mol×K | 639.94 | Joback Calculated Property |
| Cp,gas | 350.81 | J/mol×K | 671.61 | Joback Calculated Property |
| Cp,gas | 360.09 | J/mol×K | 703.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-4-mercaptohexan-2-ol.
Sources
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