- InChI
- InChI=1S/C9H18OS/c1-2-3-4-5-6-9(11)7-8-10/h8-9,11H,2-7H2,1H3
- InChI Key
- KCOFYZNOXRYCOE-UHFFFAOYSA-N
- Formula
- C9H18OS
- SMILES
- CCCCCCC(S)CC=O
- Molecular Weight1
- 174.30
- 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° | -47.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.844 | Crippen Calculated Property | |
| McVol | 155.590 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Inp | 1320.00 | NIST | |
| Tboil | 516.40 | K | Joback Calculated Property |
| Tc | 709.11 | K | Joback Calculated Property |
| Tfus | 254.65 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.23; 425.46] | J/mol×K | [516.40; 709.11] | 
|
| Cp,gas | 351.23 | J/mol×K | 516.40 | Joback Calculated Property |
| Cp,gas | 365.20 | J/mol×K | 548.52 | Joback Calculated Property |
| Cp,gas | 378.50 | J/mol×K | 580.64 | Joback Calculated Property |
| Cp,gas | 391.16 | J/mol×K | 612.75 | Joback Calculated Property |
| Cp,gas | 403.19 | J/mol×K | 644.87 | Joback Calculated Property |
| Cp,gas | 414.62 | J/mol×K | 676.99 | Joback Calculated Property |
| Cp,gas | 425.46 | J/mol×K | 709.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Mercaptononanal.
Sources
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