- InChI
- InChI=1S/C9H20OS/c1-3-4-5-6-9(11)7-8(2)10/h8-11H,3-7H2,1-2H3
- InChI Key
- FRCYEBKGSWZYRK-UHFFFAOYSA-N
- Formula
- C9H20OS
- SMILES
- CCCCCC(S)CC(C)O
- Molecular Weight1
- 176.32
- 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° | -87.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -353.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.27 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.636 | Crippen Calculated Property | |
| McVol | 159.890 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | [1315.00; 1323.00] |
|
|
| Inp | 1315.00 | NIST | |
| Inp | 1323.00 | NIST | |
| I | [1971.00; 1985.00] |
|
|
| I | 1971.00 | NIST | |
| I | 1985.00 | NIST | |
| Tboil | 559.48 | K | Joback Calculated Property |
| Tc | 741.62 | K | Joback Calculated Property |
| Tfus | 258.47 | K | Joback Calculated Property |
| Vc | 0.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.91; 458.91] | J/mol×K | [559.48; 741.62] |
|
| Cp,gas | 387.91 | J/mol×K | 559.48 | Joback Calculated Property |
| Cp,gas | 401.20 | J/mol×K | 589.84 | Joback Calculated Property |
| Cp,gas | 413.88 | J/mol×K | 620.19 | Joback Calculated Property |
| Cp,gas | 425.98 | J/mol×K | 650.55 | Joback Calculated Property |
| Cp,gas | 437.50 | J/mol×K | 680.90 | Joback Calculated Property |
| Cp,gas | 448.47 | J/mol×K | 711.26 | Joback Calculated Property |
| Cp,gas | 458.91 | J/mol×K | 741.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-mercaptononan-2-ol.
Sources
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