- 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° | 28.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.35 | 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 | 2921.84 | kPa | Joback Calculated Property |
| Tboil | 619.68 | K | Relay (1.0) Calculated Property |
| Tc | 925.63 | K | Relay (1.0) Calculated Property |
| Tfus | 447.00 ± 3.00 | K | NIST |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.95; 536.07] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.78300e+01 | |||
| Coefficient B | 1.34170e+00 | |||
| Coefficient C | -1.01330e-03 | |||
| Coefficient D | 2.95500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 273.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 328.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 374.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 414.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 447.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 475.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 498.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 518.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 536.07 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Phenylcinnamic acid.
Sources
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