- InChI
- InChI=1S/C4H10OS/c1-4(2,5)3-6/h5-6H,3H2,1-2H3
- InChI Key
- FEMWXGBGVVJDFO-UHFFFAOYSA-N
- Formula
- C4H10OS
- SMILES
- CC(C)(O)CS
- Molecular Weight1
- 106.19
- 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° | -121.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.62 | kJ/mol | Joback Calculated Property |
| log10WS | -0.94 | Crippen Calculated Property | |
| logPoct/wat | 0.687 | Crippen Calculated Property | |
| McVol | 89.440 | ml/mol | McGowan Calculated Property |
| Pc | 4910.80 | kPa | Joback Calculated Property |
| Inp | 954.00 | NIST | |
| I | 1459.00 | NIST | |
| Tboil | 442.73 | K | Joback Calculated Property |
| Tc | 638.63 | K | Joback Calculated Property |
| Tfus | 234.54 | K | Joback Calculated Property |
| Vc | 0.322 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.46; 221.16] | J/mol×K | [442.73; 638.63] | 
|
| Cp,gas | 176.46 | J/mol×K | 442.73 | Joback Calculated Property |
| Cp,gas | 185.11 | J/mol×K | 475.38 | Joback Calculated Property |
| Cp,gas | 193.25 | J/mol×K | 508.03 | Joback Calculated Property |
| Cp,gas | 200.90 | J/mol×K | 540.68 | Joback Calculated Property |
| Cp,gas | 208.08 | J/mol×K | 573.33 | Joback Calculated Property |
| Cp,gas | 214.82 | J/mol×K | 605.98 | Joback Calculated Property |
| Cp,gas | 221.16 | J/mol×K | 638.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Mercapto-2-methyl-2-propanol.
Sources
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