- InChI
- InChI=1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3
- InChI Key
- HZYCAKGEXXKCDM-UHFFFAOYSA-N
- Formula
- C4H8O2S
- SMILES
- COC(=O)CSC
- Molecular Weight1
- 120.17
- CAS
- 16630-66-3
- Other Names
-
- Methyl (methylithio)acetate
- Acetic acid, (methylthio)-, methyl ester
- Methyl methylthioacetate
- 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).
- 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° | -218.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.47 | kJ/mol | Joback Calculated Property |
| log10WS | -0.24 | Crippen Calculated Property | |
| logPoct/wat | 0.522 | Crippen Calculated Property | |
| McVol | 91.010 | ml/mol | McGowan Calculated Property |
| Pc | 4222.04 | kPa | Joback Calculated Property |
| Inp | 918.00 | NIST | |
| I | [1352.00; 1414.00] |
|
|
| I | 1414.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1352.00 | NIST | |
| I | 1393.00 | NIST | |
| Tboil | 435.99 | K | Joback Calculated Property |
| Tc | 640.35 | K | Joback Calculated Property |
| Tfus | 241.40 | K | Joback Calculated Property |
| Vc | 0.338 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.75; 211.26] | J/mol×K | [435.99; 640.35] |
|
| Cp,gas | 167.75 | J/mol×K | 435.99 | Joback Calculated Property |
| Cp,gas | 175.63 | J/mol×K | 470.05 | Joback Calculated Property |
| Cp,gas | 183.28 | J/mol×K | 504.11 | Joback Calculated Property |
| Cp,gas | 190.68 | J/mol×K | 538.17 | Joback Calculated Property |
| Cp,gas | 197.82 | J/mol×K | 572.23 | Joback Calculated Property |
| Cp,gas | 204.68 | J/mol×K | 606.29 | Joback Calculated Property |
| Cp,gas | 211.26 | J/mol×K | 640.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-(methylthio)acetate.
Sources
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