- InChI
- InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
- InChI Key
- DKIDEFUBRARXTE-UHFFFAOYSA-N
- Formula
- C3H6O2S
- SMILES
- O=C(O)CCS
- Molecular Weight1
- 106.15
- Other Names
-
- 2-Mercaptoethanecarboxylic acid
- 3-Mercaptopropanoic acid
- 3-Thiolpropanoic acid
- 3-Thiopropanoic acid
- 3-Thiopropionic acid
- 3MPA
- Hydracrylic acid, 3-thio-
- Mercaptopropionic acid
- NSC 437
- Propanoic acid, 3-mercapto-
- Propionic acid, 3-mercapto-
- «beta»-Mercaptopropanoic acid
- «beta»-Mercaptopropionic acid
- «beta»-Thiopropionic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| ω | 0.6479 | Relay (1.0) Calculated Property | |
| ΔfG° | -340.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -405.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.391 | Crippen Calculated Property | |
| McVol | 76.920 | ml/mol | McGowan Calculated Property |
| Pc | 5462.66 | kPa | Joback Calculated Property |
| Inp | [1057.00; 1057.00] |
|
|
| Inp | 1057.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Ip | [2193.00; 2193.00] |
|
|
| Ip | 2193.00 | NIST | |
| Ip | 2193.00 | NIST | |
| Ip | 2193.00 | NIST | |
| S°liquid | 228.90 | J/mol×K | NIST |
| Tboil | 502.07 | K | Relay (1.0) Calculated Property |
| Tc | 743.22 | K | Relay (1.0) Calculated Property |
| Tfus | 291.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.265 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 202.50 | J/mol×K | 299.80 | NIST |
| ΔfusH | [16.97; 16.97] | kJ/mol | [291.90; 291.90] |
|
| ΔfusH | 16.97 | kJ/mol | 291.90 | NIST |
| ΔfusH | 16.97 | kJ/mol | 291.90 | NIST |
| ΔfusS | 58.20 | J/mol×K | 291.90 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [358.70; 384.20] | K | [0.40; 2.00] |
|
| Tboilr | 358.70 | K | 0.40 | NIST |
| Tboilr | 384.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [103.53; 210.25] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.96520e+01 | |||
| Coefficient B | 3.66900e-01 | |||
| Coefficient C | -2.34400e-04 | |||
| Coefficient D | 5.81000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 103.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 122.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 139.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 154.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 167.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 178.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 188.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 196.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 203.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 210.25 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-MERCAPTOPROPIONIC ACID.
Mixtures
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid-Liquid Equilibrium for the Ternary System of 3-Mercaptopropionic Acid + Water + Trichloromethane
- Joback Method
- McGowan Method
- NIST Webbook
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