- InChI
- InChI=1S/C11H12O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,13)/b10-8+
- InChI Key
- RUETZBUVTWCCIZ-CSKARUKUSA-N
- Formula
- C11H12O2
- SMILES
- CCC(=Cc1ccccc1)C(=O)O
- Molecular Weight1
- 176.21
- 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° | -39.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.565 | Crippen Calculated Property | |
| McVol | 145.230 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Tboil | 627.85 | K | Joback Calculated Property |
| Tc | 836.58 | K | Joback Calculated Property |
| Tfus | 331.86 | K | Joback Calculated Property |
| Vc | 0.549 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.93; 412.68] | J/mol×K | [627.85; 836.58] | 
|
| Cp,gas | 353.93 | J/mol×K | 627.85 | Joback Calculated Property |
| Cp,gas | 365.47 | J/mol×K | 662.64 | Joback Calculated Property |
| Cp,gas | 376.24 | J/mol×K | 697.43 | Joback Calculated Property |
| Cp,gas | 386.30 | J/mol×K | 732.21 | Joback Calculated Property |
| Cp,gas | 395.69 | J/mol×K | 767.00 | Joback Calculated Property |
| Cp,gas | 404.47 | J/mol×K | 801.79 | Joback Calculated Property |
| Cp,gas | 412.68 | J/mol×K | 836.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2E)-2-ethyl-3-phenyl-2-propenoic acid.
Sources
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