- InChI
- InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)
- InChI Key
- PMNLUUOXGOOLSP-UHFFFAOYSA-N
- Formula
- C3H6O2S
- SMILES
- CC(S)C(=O)O
- Molecular Weight1
- 106.14
- CAS
- 79-42-5
- Other Names
-
- Thiolactic acid
- 2-Mercaptopropionic acid
- Propanoic acid, 2-mercapto-
- Propionic acid, 2-mercapto-
- «alpha»-Mercaptopropanoic acid
- «alpha»-Mercaptopropionic acid
- 2-Thiolactic acid
- UN 2936
- 2-Sulfanylpropanoic 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).
- 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).
- Ttriple : Triple Point Temperature (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° | -264.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.05 | kJ/mol | Joback Calculated Property |
| log10WS | -0.36 | Crippen Calculated Property | |
| logPoct/wat | 0.389 | Crippen Calculated Property | |
| McVol | 76.920 | ml/mol | McGowan Calculated Property |
| Pc | 6113.06 | kPa | Joback Calculated Property |
| Inp | [1057.00; 1057.00] |
|
|
| Inp | 1057.00 | NIST | |
| Inp | 1057.00 | NIST | |
| I | [2130.00; 2130.00] |
|
|
| I | 2130.00 | NIST | |
| I | 2130.00 | NIST | |
| I | 2130.00 | NIST | |
| Tboil | 476.51 | K | Joback Calculated Property |
| Tc | 677.47 | K | Joback Calculated Property |
| Tfus | 255.78 | K | Joback Calculated Property |
| Ttriple | 291.90 ± 0.20 | K | NIST |
| Vc | 0.277 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.49; 176.58] | J/mol×K | [476.51; 677.47] |
|
| Cp,gas | 145.49 | J/mol×K | 476.51 | Joback Calculated Property |
| Cp,gas | 151.38 | J/mol×K | 510.00 | Joback Calculated Property |
| Cp,gas | 156.98 | J/mol×K | 543.50 | Joback Calculated Property |
| Cp,gas | 162.29 | J/mol×K | 576.99 | Joback Calculated Property |
| Cp,gas | 167.32 | J/mol×K | 610.48 | Joback Calculated Property |
| Cp,gas | 172.09 | J/mol×K | 643.97 | Joback Calculated Property |
| Cp,gas | 176.58 | J/mol×K | 677.47 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 375.20 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 2-Mercaptopropanoic acid.
Sources
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