- InChI
- InChI=1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3
- InChI Key
- DMMJVMYCBULSIS-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- COC(=O)CCSC
- Molecular Weight1
- 134.20
- CAS
- 13532-18-8
- Other Names
-
- Propionic acid, 3-(methylthio)-, methyl ester
- Methyl «beta»-methylmercaptopropionate
- Methyl «beta»-methylthiopropionate
- Methyl 3-(methylthio)propionate
- Methyl-3-methylmercaptopropionate
- Propanoic acid, 3-(methylthio)-, methyl ester
- Methyl ester of 3-(methylthio)propanoic acid
- Methyl 3-(methylsulfanyl)propanoate
- Methyl 3-methylthiopropanoate
- NSC 76415
- 2-Methoxycarbonylethyl methyl sulfide
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -209.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.70 | kJ/mol | Joback Calculated Property |
| log10WS | -0.66 | Crippen Calculated Property | |
| logPoct/wat | 0.913 | Crippen Calculated Property | |
| McVol | 105.100 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Inp | [992.00; 1027.00] |
|
|
| Inp | 1027.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1026.80 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1023.00 | NIST | |
| I | [1505.00; 1548.00] |
|
|
| I | 1510.00 | NIST | |
| I | 1540.00 | NIST | |
| I | 1513.00 | NIST | |
| I | 1539.00 | NIST | |
| I | 1540.00 | NIST | |
| I | 1516.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1505.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1516.00 | NIST | |
| Tboil | 458.87 | K | Joback Calculated Property |
| Tc | 660.77 | K | Joback Calculated Property |
| Tfus | 252.67 | K | Joback Calculated Property |
| Vc | 0.394 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.45; 256.60] | J/mol×K | [458.87; 660.77] |
|
| Cp,gas | 205.45 | J/mol×K | 458.87 | Joback Calculated Property |
| Cp,gas | 214.81 | J/mol×K | 492.52 | Joback Calculated Property |
| Cp,gas | 223.85 | J/mol×K | 526.17 | Joback Calculated Property |
| Cp,gas | 232.56 | J/mol×K | 559.82 | Joback Calculated Property |
| Cp,gas | 240.93 | J/mol×K | 593.47 | Joback Calculated Property |
| Cp,gas | 248.95 | J/mol×K | 627.12 | Joback Calculated Property |
| Cp,gas | 256.60 | J/mol×K | 660.77 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 3-(Methylthio)propanoic acid methyl ester.
Sources
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