- InChI
- InChI=1S/C6H12OS/c1-6(7)4-2-3-5-8/h8H,2-5H2,1H3
- InChI Key
- QGQSMYRKYYEGHB-UHFFFAOYSA-N
- Formula
- C6H12OS
- SMILES
- CC(=O)CCCCS
- 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.
- 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° | -99.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.43 | kJ/mol | Joback Calculated Property |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 1.675 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3598.56 | kPa | Joback Calculated Property |
| Inp | [1014.00; 1014.00] |
|
|
| Inp | 1014.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Tboil | 453.41 | K | Joback Calculated Property |
| Tc | 654.16 | K | Joback Calculated Property |
| Tfus | 243.77 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.86; 279.41] | J/mol×K | [453.41; 654.16] |
|
| Cp,gas | 221.86 | J/mol×K | 453.41 | Joback Calculated Property |
| Cp,gas | 232.66 | J/mol×K | 486.87 | Joback Calculated Property |
| Cp,gas | 242.96 | J/mol×K | 520.33 | Joback Calculated Property |
| Cp,gas | 252.77 | J/mol×K | 553.79 | Joback Calculated Property |
| Cp,gas | 262.11 | J/mol×K | 587.25 | Joback Calculated Property |
| Cp,gas | 270.99 | J/mol×K | 620.71 | Joback Calculated Property |
| Cp,gas | 279.41 | J/mol×K | 654.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Mercapto-2-hexanone.
Sources
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