- InChI
- InChI=1S/C5H12OS/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3
- InChI Key
- PRJACVDGNSZBLE-UHFFFAOYSA-N
- Formula
- C5H12OS
- SMILES
- CCC(S)CCO
- Molecular Weight1
- 120.21
- 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° | -118.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.75 | kJ/mol | Joback Calculated Property |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 1.077 | Crippen Calculated Property | |
| McVol | 103.530 | ml/mol | McGowan Calculated Property |
| Pc | 4249.61 | kPa | Joback Calculated Property |
| Inp | [1002.00; 1002.00] |
|
|
| Inp | 1002.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Tboil | 468.40 | K | Joback Calculated Property |
| Tc | 654.54 | K | Joback Calculated Property |
| Tfus | 228.39 | K | Joback Calculated Property |
| Vc | 0.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.35; 261.63] | J/mol×K | [468.40; 654.54] |
|
| Cp,gas | 212.35 | J/mol×K | 468.40 | Joback Calculated Property |
| Cp,gas | 221.54 | J/mol×K | 499.42 | Joback Calculated Property |
| Cp,gas | 230.32 | J/mol×K | 530.45 | Joback Calculated Property |
| Cp,gas | 238.70 | J/mol×K | 561.47 | Joback Calculated Property |
| Cp,gas | 246.71 | J/mol×K | 592.49 | Joback Calculated Property |
| Cp,gas | 254.35 | J/mol×K | 623.52 | Joback Calculated Property |
| Cp,gas | 261.63 | J/mol×K | 654.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Mercaptopentanol.
Sources
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