- InChI
- InChI=1S/C6H10O2S/c1-2-4-9-5-3-6(7)8/h2H,1,3-5H2,(H,7,8)
- InChI Key
- PPARCULXOKUJAV-UHFFFAOYSA-N
- Formula
- C6H10O2S
- SMILES
- C=CCSCCC(=O)O
- Molecular Weight1
- 146.21
- CAS
- 23349-98-6
- Other Names
-
- 3-(Allylsulfanyl)propanoic acid
- Propanoic acid, 3-(2-propenylthio)
- 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).
- 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° | -145.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.17 | Crippen Calculated Property | |
| logPoct/wat | 1.380 | Crippen Calculated Property | |
| McVol | 114.890 | ml/mol | McGowan Calculated Property |
| Pc | 4005.77 | kPa | Joback Calculated Property |
| Tboil | 548.19 | K | Joback Calculated Property |
| Tc | 741.05 | K | Joback Calculated Property |
| Tfus | 300.77 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.60; 294.93] | J/mol×K | [548.19; 741.05] | 
|
| Cp,gas | 249.60 | J/mol×K | 548.19 | Joback Calculated Property |
| Cp,gas | 258.20 | J/mol×K | 580.33 | Joback Calculated Property |
| Cp,gas | 266.37 | J/mol×K | 612.48 | Joback Calculated Property |
| Cp,gas | 274.12 | J/mol×K | 644.62 | Joback Calculated Property |
| Cp,gas | 281.45 | J/mol×K | 676.77 | Joback Calculated Property |
| Cp,gas | 288.39 | J/mol×K | 708.91 | Joback Calculated Property |
| Cp,gas | 294.93 | J/mol×K | 741.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 3-(allylthio)-.
Sources
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