- InChI
- InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3
- InChI Key
- JSASXSHMJYRPCM-UHFFFAOYSA-N
- Formula
- C7H16OS
- SMILES
- CCCC(CCO)SC
- Molecular Weight1
- 148.27
- CAS
- 51755-66-9
- Other Names
-
- 3-Methylthio-1-hexanol
- 3-(Methylthio)-hexan-1-ol
- 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° | -98.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.01 | Crippen Calculated Property | |
| logPoct/wat | 1.901 | Crippen Calculated Property | |
| McVol | 131.710 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Inp | [1203.00; 1206.00] |
|
|
| Inp | 1203.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1206.00 | NIST | |
| I | [1843.00; 1878.00] |
|
|
| I | 1878.00 | NIST | |
| I | 1843.00 | NIST | |
| Tboil | 520.08 | K | Joback Calculated Property |
| Tc | 702.37 | K | Joback Calculated Property |
| Tfus | 248.87 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.21; 359.37] | J/mol×K | [520.08; 702.37] |
|
| Cp,gas | 298.21 | J/mol×K | 520.08 | Joback Calculated Property |
| Cp,gas | 309.58 | J/mol×K | 550.46 | Joback Calculated Property |
| Cp,gas | 320.47 | J/mol×K | 580.84 | Joback Calculated Property |
| Cp,gas | 330.88 | J/mol×K | 611.22 | Joback Calculated Property |
| Cp,gas | 340.83 | J/mol×K | 641.61 | Joback Calculated Property |
| Cp,gas | 350.33 | J/mol×K | 671.99 | Joback Calculated Property |
| Cp,gas | 359.37 | J/mol×K | 702.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(methylthio) hexanol.
Sources
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