- InChI
- InChI=1S/C6H14S/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
- InChI Key
- AJWVDGABWLKIGT-UHFFFAOYSA-N
- Formula
- C6H14S
- SMILES
- CCC(C)(S)CC
- Molecular Weight1
- 118.24
- CAS
- 1639-03-8
- Other Names
-
- 3-Methyl-3-pentanethiol
- 3-methylpentane-3-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° | 31.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -137.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 2.495 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback Calculated Property |
| Inp | [821.00; 821.00] |
|
|
| Inp | 821.00 | NIST | |
| Inp | 821.00 | NIST | |
| Tboil | 396.31 | K | Joback Calculated Property |
| Tc | 598.05 | K | Joback Calculated Property |
| Tfus | 196.26 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.50; 274.38] | J/mol×K | [396.31; 598.05] |
|
| Cp,gas | 206.50 | J/mol×K | 396.31 | Joback Calculated Property |
| Cp,gas | 219.51 | J/mol×K | 429.93 | Joback Calculated Property |
| Cp,gas | 231.80 | J/mol×K | 463.56 | Joback Calculated Property |
| Cp,gas | 243.40 | J/mol×K | 497.18 | Joback Calculated Property |
| Cp,gas | 254.34 | J/mol×K | 530.80 | Joback Calculated Property |
| Cp,gas | 264.66 | J/mol×K | 564.43 | Joback Calculated Property |
| Cp,gas | 274.38 | J/mol×K | 598.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanethiol, 3-methyl-.
Sources
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