- InChI
- InChI=1S/C6H12OS/c1-3-6(7)4-5(2)8/h5,8H,3-4H2,1-2H3
- InChI Key
- FVUILWCIRQEGGQ-UHFFFAOYSA-N
- Formula
- C6H12OS
- SMILES
- CCC(=O)CC(C)S
- Molecular Weight1
- 132.22
- 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° | -102.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -246.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.05 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.674 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Inp | [984.00; 1019.00] |
|
|
| Inp | 984.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| I | [1487.00; 1487.00] |
|
|
| I | 1487.00 | NIST | |
| I | 1487.00 | NIST | |
| Tboil | 452.97 | K | Joback Calculated Property |
| Tc | 658.46 | K | Joback Calculated Property |
| Tfus | 228.77 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.01; 281.15] | J/mol×K | [452.97; 658.46] |
|
| Cp,gas | 222.01 | J/mol×K | 452.97 | Joback Calculated Property |
| Cp,gas | 233.16 | J/mol×K | 487.22 | Joback Calculated Property |
| Cp,gas | 243.77 | J/mol×K | 521.47 | Joback Calculated Property |
| Cp,gas | 253.86 | J/mol×K | 555.71 | Joback Calculated Property |
| Cp,gas | 263.44 | J/mol×K | 589.96 | Joback Calculated Property |
| Cp,gas | 272.53 | J/mol×K | 624.21 | Joback Calculated Property |
| Cp,gas | 281.15 | J/mol×K | 658.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Mercaptohexan-3-one.
Sources
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