- InChI
- InChI=1S/C7H12O2S/c1-3-5-9-7(8)4-6-10-2/h4,6H,3,5H2,1-2H3/b6-4+
- InChI Key
- UZTNLELOESZULR-GQCTYLIASA-N
- Formula
- C7H12O2S
- SMILES
- CCCOC(=O)C=CSC
- Molecular Weight1
- 160.23
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -112.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.11 | kJ/mol | Joback Calculated Property |
| log10WS | -1.85 | Crippen Calculated Property | |
| logPoct/wat | 1.816 | Crippen Calculated Property | |
| McVol | 128.980 | ml/mol | McGowan Calculated Property |
| Pc | 3173.97 | kPa | Joback Calculated Property |
| I | 1827.00 | NIST | |
| Tboil | 508.79 | K | Joback Calculated Property |
| Tc | 714.76 | K | Joback Calculated Property |
| Tfus | 270.13 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.59; 329.81] | J/mol×K | [508.79; 714.76] | 
|
| Cp,gas | 269.59 | J/mol×K | 508.79 | Joback Calculated Property |
| Cp,gas | 280.93 | J/mol×K | 543.12 | Joback Calculated Property |
| Cp,gas | 291.74 | J/mol×K | 577.45 | Joback Calculated Property |
| Cp,gas | 302.03 | J/mol×K | 611.78 | Joback Calculated Property |
| Cp,gas | 311.80 | J/mol×K | 646.11 | Joback Calculated Property |
| Cp,gas | 321.06 | J/mol×K | 680.43 | Joback Calculated Property |
| Cp,gas | 329.81 | J/mol×K | 714.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propyl 3-(methylthio)-(E)-2-propenoate.
Sources
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