- InChI
- InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+
- InChI Key
- BIDDLDNGQCUOJQ-SDNWHVSQSA-N
- Formula
- C15H12O2
- SMILES
- O=C(O)C(=Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 224.25
- CAS
- 3368-16-9
- Other Names
-
- «alpha»-Stilbenecarboxylic acid
- Acrylic acid, 2,3-diphenyl-
- Atropic acid, «beta»-phenyl-
- Benzeneacetic acid, «alpha»-(phenylmethylene)-
- Cinnamic acid, «alpha»-phenyl-
- 2-Phenylcinnamic acid
- 2-Propenoic acid, 2,3-diphenyl-
- 2,3-Diphenyl-2-propenoic 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).
- 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 | 0.7241 | Relay (1.0) Calculated Property | |
| ΔfG° | 106.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.312 | Crippen Calculated Property | |
| McVol | 177.830 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Tboil | 619.68 | K | Relay (1.0) Calculated Property |
| Tc | 924.39 | K | Relay (1.0) Calculated Property |
| Tfus | 447.00 ± 3.00 | K | NIST |
| Vc | 0.618 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.07; 528.93] | J/mol×K | [746.05; 979.73] | 
|
| Cp,gas | 469.07 | J/mol×K | 746.05 | Joback Calculated Property |
| Cp,gas | 481.16 | J/mol×K | 785.00 | Joback Calculated Property |
| Cp,gas | 492.28 | J/mol×K | 823.94 | Joback Calculated Property |
| Cp,gas | 502.52 | J/mol×K | 862.89 | Joback Calculated Property |
| Cp,gas | 511.98 | J/mol×K | 901.84 | Joback Calculated Property |
| Cp,gas | 520.75 | J/mol×K | 940.78 | Joback Calculated Property |
| Cp,gas | 528.93 | J/mol×K | 979.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Phenylcinnamic acid.
Sources
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