- InChI
- InChI=1S/C8H18OS/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
- InChI Key
- XJTWZETUWHTBTG-UHFFFAOYSA-N
- Formula
- C8H18OS
- SMILES
- OCCCCCCCCS
- Molecular Weight1
- 162.29
- 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° | -90.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 2.249 | Crippen Calculated Property | |
| McVol | 145.800 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Inp | [1393.00; 1393.00] |
|
|
| Inp | 1393.00 | NIST | |
| Inp | 1393.00 | NIST | |
| I | 2150.00 | NIST | |
| Tboil | 537.48 | K | Joback Calculated Property |
| Tc | 714.51 | K | Joback Calculated Property |
| Tfus | 277.20 | K | Joback Calculated Property |
| Vc | 0.556 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.61; 404.61] | J/mol×K | [537.48; 714.51] |
|
| Cp,gas | 340.61 | J/mol×K | 537.48 | Joback Calculated Property |
| Cp,gas | 352.51 | J/mol×K | 566.98 | Joback Calculated Property |
| Cp,gas | 363.89 | J/mol×K | 596.49 | Joback Calculated Property |
| Cp,gas | 374.78 | J/mol×K | 625.99 | Joback Calculated Property |
| Cp,gas | 385.19 | J/mol×K | 655.50 | Joback Calculated Property |
| Cp,gas | 395.13 | J/mol×K | 685.00 | Joback Calculated Property |
| Cp,gas | 404.61 | J/mol×K | 714.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-Mercaptooctanol.
Sources
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