- InChI
- InChI=1S/C6H14S/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
- InChI Key
- WUACDJJGMSFOGF-UHFFFAOYSA-N
- Formula
- C6H14S
- SMILES
- CCC(C)CCS
- Molecular Weight1
- 118.24
- CAS
- 1633-88-1
- Other Names
-
- 3-Methylpentan-1-thiol
- 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° | 26.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 2.352 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Inp | 877.00 | NIST | |
| Tboil | 399.10 | K | Joback Calculated Property |
| Tc | 592.27 | K | Joback Calculated Property |
| Tfus | 178.84 | K | Joback Calculated Property |
| Vc | 0.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.79; 268.61] | J/mol×K | [399.10; 592.27] | 
|
| Cp,gas | 204.79 | J/mol×K | 399.10 | Joback Calculated Property |
| Cp,gas | 216.65 | J/mol×K | 431.30 | Joback Calculated Property |
| Cp,gas | 228.00 | J/mol×K | 463.49 | Joback Calculated Property |
| Cp,gas | 238.86 | J/mol×K | 495.69 | Joback Calculated Property |
| Cp,gas | 249.24 | J/mol×K | 527.88 | Joback Calculated Property |
| Cp,gas | 259.15 | J/mol×K | 560.08 | Joback Calculated Property |
| Cp,gas | 268.61 | J/mol×K | 592.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentanethiol, 3-methyl-.
Sources
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