- InChI
- InChI=1S/C5H10OS2/c1-4(7-2)5(6)8-3/h4H,1-3H3
- InChI Key
- NGIPHAZKKJGVHC-UHFFFAOYSA-N
- Formula
- C5H10OS2
- SMILES
- CSC(=O)C(C)SC
- Molecular Weight1
- 150.26
- 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° | -73.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.72 | kJ/mol | Joback Calculated Property |
| log10WS | -1.57 | Crippen Calculated Property | |
| logPoct/wat | 1.627 | Crippen Calculated Property | |
| McVol | 115.580 | ml/mol | McGowan Calculated Property |
| Pc | 3940.66 | kPa | Joback Calculated Property |
| Inp | [1036.00; 1036.00] |
|
|
| Inp | 1036.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Tboil | 504.79 | K | Joback Calculated Property |
| Tc | 736.10 | K | Joback Calculated Property |
| Tfus | 249.84 | K | Joback Calculated Property |
| Vc | 0.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.20; 282.10] | J/mol×K | [504.79; 736.10] |
|
| Cp,gas | 227.20 | J/mol×K | 504.79 | Joback Calculated Property |
| Cp,gas | 237.70 | J/mol×K | 543.34 | Joback Calculated Property |
| Cp,gas | 247.67 | J/mol×K | 581.89 | Joback Calculated Property |
| Cp,gas | 257.10 | J/mol×K | 620.45 | Joback Calculated Property |
| Cp,gas | 265.98 | J/mol×K | 659.00 | Joback Calculated Property |
| Cp,gas | 274.32 | J/mol×K | 697.55 | Joback Calculated Property |
| Cp,gas | 282.10 | J/mol×K | 736.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiomethyl ester «alpha»-(methyl-thio)propionic acid.
Sources
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