- InChI
- InChI=1S/C4H8O2S/c1-3(7)4(5)6-2/h3,7H,1-2H3
- InChI Key
- SNWKNPMDQONHKK-UHFFFAOYSA-N
- Formula
- C4H8O2S
- SMILES
- COC(=O)C(C)S
- Molecular Weight1
- 120.17
- CAS
- 53907-46-3
- Other Names
-
- Methyl 2-mercaptopropionate
- Methyl «alpha»-mercaptopropionate
- «alpha»-Mercaptopropionic acid methyl ester
- Methyl alpha-mercaptopropionate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3914 | Relay (1.0) Calculated Property | |
| ΔfG° | -224.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.478 | Crippen Calculated Property | |
| McVol | 91.010 | ml/mol | McGowan Calculated Property |
| Pc | 4540.80 | kPa | Joback Calculated Property |
| Inp | 813.00 | NIST | |
| Tboil | 403.07 | K | Relay (1.0) Calculated Property |
| Tc | 612.32 | K | Relay (1.0) Calculated Property |
| Tfus | 205.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.320 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.98; 211.07] | J/mol×K | [429.63; 638.94] | 
|
| Cp,gas | 166.98 | J/mol×K | 429.63 | Joback Calculated Property |
| Cp,gas | 175.08 | J/mol×K | 464.52 | Joback Calculated Property |
| Cp,gas | 182.89 | J/mol×K | 499.40 | Joback Calculated Property |
| Cp,gas | 190.40 | J/mol×K | 534.29 | Joback Calculated Property |
| Cp,gas | 197.60 | J/mol×K | 569.17 | Joback Calculated Property |
| Cp,gas | 204.49 | J/mol×K | 604.06 | Joback Calculated Property |
| Cp,gas | 211.07 | J/mol×K | 638.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-mercapto-, methyl ester.
Sources
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