- InChI
- InChI=1S/C5H12OS/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
- InChI Key
- AKFMLHKPSQIJJW-UHFFFAOYSA-N
- Formula
- C5H12OS
- SMILES
- CC(O)CC(C)S
- Molecular Weight1
- 120.21
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5639 | Relay (... Calculated Property | |
| ΔfG° | -121.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.39 | kJ/mol | Relay (... Calculated Property |
| IE | 9.01 | eV | Relay (... Calculated Property |
| log10WS | -0.34 | Relay (... Calculated Property | |
| logPoct/wat | 1.076 | Crippen Calculated Property | |
| McVol | 103.530 | ml/mol | McGowan Calculated Property |
| Pc | 4294.29 | kPa | Joback Calculated Property |
| Inp | 914.00 | NIST | |
| Tboil | 455.54 | K | Relay (... Calculated Property |
| Tc | 626.93 | K | Relay (... Calculated Property |
| Tfus | 220.64 | K | Relay (... Calculated Property |
| Vc | 0.372 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.56; 263.16] | J/mol×K | [467.96; 658.24] | 
|
| Cp,gas | 212.56 | J/mol×K | 467.96 | Joback Calculated Property |
| Cp,gas | 222.02 | J/mol×K | 499.67 | Joback Calculated Property |
| Cp,gas | 231.06 | J/mol×K | 531.39 | Joback Calculated Property |
| Cp,gas | 239.68 | J/mol×K | 563.10 | Joback Calculated Property |
| Cp,gas | 247.90 | J/mol×K | 594.82 | Joback Calculated Property |
| Cp,gas | 255.72 | J/mol×K | 626.53 | Joback Calculated Property |
| Cp,gas | 263.16 | J/mol×K | 658.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Mercaptopentan-2-ol, # 1.
Sources
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