- InChI
- InChI=1S/C8H18OS/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3
- InChI Key
- WKAXDMPFNOOFMS-UHFFFAOYSA-N
- Formula
- C8H18OS
- SMILES
- CCCCCC(S)CCO
- 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.
- 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° | -93.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 2.248 | Crippen Calculated Property | |
| McVol | 145.800 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Inp | 1302.00 | NIST | |
| Tboil | 537.04 | K | Joback Calculated Property |
| Tc | 717.51 | K | Joback Calculated Property |
| Tfus | 262.20 | K | Joback Calculated Property |
| Vc | 0.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.92; 406.29] | J/mol×K | [537.04; 717.51] | 
|
| Cp,gas | 340.92 | J/mol×K | 537.04 | Joback Calculated Property |
| Cp,gas | 353.12 | J/mol×K | 567.12 | Joback Calculated Property |
| Cp,gas | 364.77 | J/mol×K | 597.20 | Joback Calculated Property |
| Cp,gas | 375.89 | J/mol×K | 627.28 | Joback Calculated Property |
| Cp,gas | 386.51 | J/mol×K | 657.35 | Joback Calculated Property |
| Cp,gas | 396.64 | J/mol×K | 687.43 | Joback Calculated Property |
| Cp,gas | 406.29 | J/mol×K | 717.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-mercaptooctanol.
Sources
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