- InChI
- InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3
- InChI Key
- MKIJJIMOAABWGF-UHFFFAOYSA-N
- Formula
- C3H6O2S
- SMILES
- COC(=O)CS
- Molecular Weight1
- 106.14
- CAS
- 2365-48-2
- Other Names
-
- Methyl thioglycolate
- Methyl mercaptoacetate
- Methyl 2-mercaptoacetate
- Thioglycolic acid methyl ester
- Methanethiol, methoxy-
- USAF EK-7119
- Thioglykolsaeure-methylester
- Mercaptoacetic acid methyl ester
- Methyl «alpha»-mercaptoacetate
- Methyl ester of thioglycolic acid
- Acetic acid, 2-mercapto-, methyl ester
- NSC 75117
- 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° | -230.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.17 | kJ/mol | Joback Calculated Property |
| log10WS | -0.01 | Crippen Calculated Property | |
| logPoct/wat | 0.089 | Crippen Calculated Property | |
| McVol | 76.920 | ml/mol | McGowan Calculated Property |
| Pc | 5131.32 | kPa | Joback Calculated Property |
| Inp | [791.00; 802.00] |
|
|
| Inp | 791.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 802.00 | NIST | |
| I | [1346.00; 1346.00] |
|
|
| I | 1346.00 | NIST | |
| I | 1346.00 | NIST | |
| Tboil | 407.19 | K | Joback Calculated Property |
| Tc | 613.74 | K | Joback Calculated Property |
| Tfus | 232.19 | K | Joback Calculated Property |
| Vc | 0.281 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.90; 166.06] | J/mol×K | [407.19; 613.74] |
|
| Cp,gas | 131.90 | J/mol×K | 407.19 | Joback Calculated Property |
| Cp,gas | 138.07 | J/mol×K | 441.62 | Joback Calculated Property |
| Cp,gas | 144.07 | J/mol×K | 476.04 | Joback Calculated Property |
| Cp,gas | 149.87 | J/mol×K | 510.47 | Joback Calculated Property |
| Cp,gas | 155.48 | J/mol×K | 544.89 | Joback Calculated Property |
| Cp,gas | 160.88 | J/mol×K | 579.32 | Joback Calculated Property |
| Cp,gas | 166.06 | J/mol×K | 613.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 315.70 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, mercapto-, methyl ester.
Sources
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