- InChI
- InChI=1S/C9H20OS/c1-2-3-4-5-6-9(11)7-8-10/h9-11H,2-8H2,1H3
- InChI Key
- AGWMDKCBKRLFRA-UHFFFAOYSA-N
- Formula
- C9H20OS
- SMILES
- CCCCCCC(S)CCO
- 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.
- 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° | -84.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.66 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.638 | Crippen Calculated Property | |
| McVol | 159.890 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Inp | 1424.00 | NIST | |
| Tboil | 559.92 | K | Joback Calculated Property |
| Tc | 738.68 | K | Joback Calculated Property |
| Tfus | 273.47 | K | Joback Calculated Property |
| Vc | 0.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.56; 457.18] | J/mol×K | [559.92; 738.68] | 
|
| Cp,gas | 387.56 | J/mol×K | 559.92 | Joback Calculated Property |
| Cp,gas | 400.55 | J/mol×K | 589.71 | Joback Calculated Property |
| Cp,gas | 412.97 | J/mol×K | 619.51 | Joback Calculated Property |
| Cp,gas | 424.82 | J/mol×K | 649.30 | Joback Calculated Property |
| Cp,gas | 436.12 | J/mol×K | 679.09 | Joback Calculated Property |
| Cp,gas | 446.91 | J/mol×K | 708.89 | Joback Calculated Property |
| Cp,gas | 457.18 | J/mol×K | 738.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-mercaptononanol.
Sources
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