- InChI
- InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
- InChI Key
- WBYWAXJHAXSJNI-SREVYHEPSA-N
- Formula
- C9H8O2
- SMILES
- O=C(O)C=Cc1ccccc1
- Molecular Weight1
- 148.16
- CAS
- 102-94-3
- Other Names
-
- (2Z)-3-Phenyl-2-propenoic acid
- (Z)-3-phenylacrylic acid
- (Z)-cinnamic acid
- 2-Propenoic acid, 3-phenyl-, (Z)-
- Allocinnamic acid
- Cinnamic acid, (Z)-
- Cinnamic acid, cis-
- Isocinnamic acid
- cis-cinnamic acid
- cis-«beta»-Carboxystyrene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-4385.30; -4366.00] | kJ/mol |
|
| ΔcH°solid | -4383.80 ± 1.70 | kJ/mol | NIST |
| ΔcH°solid | -4368.00 ± 1.70 | kJ/mol | NIST |
| ΔcH°solid | -4373.70 ± 1.70 | kJ/mol | NIST |
| ΔcH°solid | -4366.00 ± 1.70 | kJ/mol | NIST |
| ΔcH°solid | -4385.30 | kJ/mol | NIST |
| ΔfG° | -48.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.29 | kJ/mol | Joback Calculated Property |
| IE | 8.90 | eV | NIST |
| log10WS | -1.81 | Crippen Calculated Property | |
| logPoct/wat | 1.784 | Crippen Calculated Property | |
| McVol | 117.050 | ml/mol | McGowan Calculated Property |
| Pc | 4194.74 | kPa | Joback Calculated Property |
| I | 2735.00 | NIST | |
| Tboil | 582.21 | K | Joback Calculated Property |
| Tc | 794.16 | K | Joback Calculated Property |
| Tfus | 340.10 | K | Energet... |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.10; 310.53] | J/mol×K | [582.21; 794.16] |
|
| Cp,gas | 261.10 | J/mol×K | 582.21 | Joback Calculated Property |
| Cp,gas | 270.92 | J/mol×K | 617.54 | Joback Calculated Property |
| Cp,gas | 280.05 | J/mol×K | 652.86 | Joback Calculated Property |
| Cp,gas | 288.54 | J/mol×K | 688.19 | Joback Calculated Property |
| Cp,gas | 296.41 | J/mol×K | 723.51 | Joback Calculated Property |
| Cp,gas | 303.73 | J/mol×K | 758.84 | Joback Calculated Property |
| Cp,gas | 310.53 | J/mol×K | 794.16 | Joback Calculated Property |
| η | [0.0000904; 0.0067351] | Pa×s | [323.28; 582.21] |
|
| η | 0.0067351 | Pa×s | 323.28 | Joback Calculated Property |
| η | 0.0021509 | Pa×s | 366.44 | Joback Calculated Property |
| η | 0.0008737 | Pa×s | 409.59 | Joback Calculated Property |
| η | 0.0004214 | Pa×s | 452.75 | Joback Calculated Property |
| η | 0.0002307 | Pa×s | 495.90 | Joback Calculated Property |
| η | 0.0001391 | Pa×s | 539.06 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 582.21 | Joback Calculated Property |
| ΔfusH | [16.95; 16.95] | kJ/mol | [341.20; 341.20] |
|
| ΔfusH | 16.95 | kJ/mol | 341.20 | NIST |
| ΔfusH | 16.95 | kJ/mol | 341.20 | NIST |
Similar Compounds
Find more compounds similar to (Z)-3-Phenyl-2-propenoic acid.
Sources
- Crippen Method
- Crippen Method
- Energetics of neutral and deprotonated (Z)-cinnamic acid
- Joback Method
- McGowan Method
- NIST Webbook
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