- InChI
- InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
- InChI Key
- FDBQLLMYSACLPB-UHFFFAOYSA-N
- Formula
- C6H14OS
- SMILES
- CC(O)CC(C)(C)S
- Molecular Weight1
- 134.24
- CAS
- 255391-65-2
- Other Names
-
- 4-mercapto-4-methyl pentan-2-ol
- 4-methyl-4-mercapto-2-pentanol
- 2-Pentanol, 4-mercapto-4-methyl
- 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° | -107.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.68 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.466 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Inp | [976.00; 1042.00] |
|
|
| Inp | 1039.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 1039.00 | NIST | |
| I | [1534.00; 1567.00] |
|
|
| I | 1567.00 | NIST | |
| I | 1534.00 | NIST | |
| I | 1547.00 | NIST | |
| I | 1547.00 | NIST | |
| I | 1534.00 | NIST | |
| I | 1567.00 | NIST | |
| Tboil | 488.05 | K | Joback Calculated Property |
| Tc | 683.77 | K | Joback Calculated Property |
| Tfus | 242.08 | K | Joback Calculated Property |
| Vc | 0.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.48; 314.83] | J/mol×K | [488.05; 683.77] |
|
| Cp,gas | 256.48 | J/mol×K | 488.05 | Joback Calculated Property |
| Cp,gas | 267.70 | J/mol×K | 520.67 | Joback Calculated Property |
| Cp,gas | 278.28 | J/mol×K | 553.29 | Joback Calculated Property |
| Cp,gas | 288.26 | J/mol×K | 585.91 | Joback Calculated Property |
| Cp,gas | 297.65 | J/mol×K | 618.53 | Joback Calculated Property |
| Cp,gas | 306.50 | J/mol×K | 651.15 | Joback Calculated Property |
| Cp,gas | 314.83 | J/mol×K | 683.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-mercapto-4-methyl-2-pentanol.
Sources
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