- InChI
- InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
- InChI Key
- HGTBAIVLETUVCG-UHFFFAOYSA-N
- Formula
- C3H6O2S
- SMILES
- CSCC(=O)O
- Molecular Weight1
- 106.14
- CAS
- 2444-37-3
- Other Names
-
- Acetic acid, (methylthio)-
- (methylthio)acetic acid
- 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).
- 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° | -258.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.51 | kJ/mol | Joback Calculated Property |
| log10WS | -0.06 | Crippen Calculated Property | |
| logPoct/wat | 0.434 | Crippen Calculated Property | |
| McVol | 76.920 | ml/mol | McGowan Calculated Property |
| Pc | 5619.38 | kPa | Joback Calculated Property |
| Tboil | 482.87 | K | Joback Calculated Property |
| Tc | 679.28 | K | Joback Calculated Property |
| Tfus | 268.72 | K | Joback Calculated Property |
| Vc | 0.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.94; 176.96] | J/mol×K | [482.87; 679.28] | 
|
| Cp,gas | 145.94 | J/mol×K | 482.87 | Joback Calculated Property |
| Cp,gas | 151.73 | J/mol×K | 515.60 | Joback Calculated Property |
| Cp,gas | 157.27 | J/mol×K | 548.34 | Joback Calculated Property |
| Cp,gas | 162.56 | J/mol×K | 581.07 | Joback Calculated Property |
| Cp,gas | 167.61 | J/mol×K | 613.81 | Joback Calculated Property |
| Cp,gas | 172.41 | J/mol×K | 646.54 | Joback Calculated Property |
| Cp,gas | 176.96 | J/mol×K | 679.28 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 403.70 | K | 3.60 | NIST |
Similar Compounds
![2-[Ethylthio]ethanal.](data:image/png;base64,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)
Find more compounds similar to 2-Methylthioacetic acid.
Sources
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