- InChI
- InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2
- InChI Key
- BMYLOHDOJPEVOR-UHFFFAOYSA-N
- Formula
- C3H6OS
- SMILES
- O=CCCS
- Molecular Weight1
- 90.14
- 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° | -95.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -152.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.73 | kJ/mol | Joback Calculated Property |
| log10WS | -0.43 | Crippen Calculated Property | |
| logPoct/wat | 0.505 | Crippen Calculated Property | |
| McVol | 71.050 | ml/mol | McGowan Calculated Property |
| Pc | 5343.52 | kPa | Joback Calculated Property |
| Inp | [756.00; 756.00] |
|
|
| Inp | 756.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 756.00 | NIST | |
| Tboil | 379.56 | K | Joback Calculated Property |
| Tc | 580.52 | K | Joback Calculated Property |
| Tfus | 202.03 | K | Joback Calculated Property |
| Vc | 0.275 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.98; 148.46] | J/mol×K | [379.56; 580.52] |
|
| Cp,gas | 115.98 | J/mol×K | 379.56 | Joback Calculated Property |
| Cp,gas | 122.05 | J/mol×K | 413.05 | Joback Calculated Property |
| Cp,gas | 127.84 | J/mol×K | 446.55 | Joback Calculated Property |
| Cp,gas | 133.38 | J/mol×K | 480.04 | Joback Calculated Property |
| Cp,gas | 138.65 | J/mol×K | 513.53 | Joback Calculated Property |
| Cp,gas | 143.68 | J/mol×K | 547.02 | Joback Calculated Property |
| Cp,gas | 148.46 | J/mol×K | 580.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Mercaptopropanal.
Sources
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