- InChI
- InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
- InChI Key
- CAOMCZAIALVUPA-UHFFFAOYSA-N
- Formula
- C4H8O2S
- SMILES
- CSCCC(=O)O
- Molecular Weight1
- 120.17
- CAS
- 646-01-5
- Other Names
-
- Propionic acid, 3-(methylthio)-
- 3-(Methylthio)propanoic acid
- 3-(Methylthio)propionic acid
- 4-Thiapentanoic acid
- ω : Acentric Factor.
- 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).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6199 | Relay (1.0) Calculated Property | |
| ΔfG° | -249.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.824 | Crippen Calculated Property | |
| McVol | 91.010 | ml/mol | McGowan Calculated Property |
| Pc | 4890.21 | kPa | Joback Calculated Property |
| Inp | [1093.00; 1150.00] |
|
|
| Inp | 1150.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1093.00 | NIST | |
| I | [2298.00; 2320.00] |
|
|
| I | 2298.00 | NIST | |
| I | 2320.00 | NIST | |
| I | 2320.00 | NIST | |
| Tboil | 513.17 | K | Relay (1.0) Calculated Property |
| Tc | 716.23 | K | Relay (1.0) Calculated Property |
| Tfus | 315.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.303 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.77; 222.68] | J/mol×K | [505.75; 699.71] |
|
| Cp,gas | 184.77 | J/mol×K | 505.75 | Joback Calculated Property |
| Cp,gas | 191.87 | J/mol×K | 538.08 | Joback Calculated Property |
| Cp,gas | 198.65 | J/mol×K | 570.40 | Joback Calculated Property |
| Cp,gas | 205.12 | J/mol×K | 602.73 | Joback Calculated Property |
| Cp,gas | 211.28 | J/mol×K | 635.05 | Joback Calculated Property |
| Cp,gas | 217.13 | J/mol×K | 667.38 | Joback Calculated Property |
| Cp,gas | 222.68 | J/mol×K | 699.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-(methylthio)-.
Sources
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