- InChI
- InChI=1S/C6H14S/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3
- InChI Key
- NTRKGRUMBHBCAM-UHFFFAOYSA-N
- Formula
- C6H14S
- SMILES
- CCC(S)C(C)C
- Molecular Weight1
- 118.24
- CAS
- 1639-04-9
- 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).
- 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° | 24.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.91 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 2.351 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Tboil | 408.75 ± 0.20 | K | NIST |
| Tc | 596.55 | K | Joback Calculated Property |
| Tfus | 163.84 | K | Joback Calculated Property |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.76; 270.44] | J/mol×K | [398.66; 596.55] | 
|
| Cp,gas | 204.76 | J/mol×K | 398.66 | Joback Calculated Property |
| Cp,gas | 217.01 | J/mol×K | 431.64 | Joback Calculated Property |
| Cp,gas | 228.72 | J/mol×K | 464.62 | Joback Calculated Property |
| Cp,gas | 239.90 | J/mol×K | 497.61 | Joback Calculated Property |
| Cp,gas | 250.57 | J/mol×K | 530.59 | Joback Calculated Property |
| Cp,gas | 260.75 | J/mol×K | 563.57 | Joback Calculated Property |
| Cp,gas | 270.44 | J/mol×K | 596.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanethiol, 2-methyl-.
Sources
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