- InChI
- InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
- InChI Key
- XMIIGOLPHOKFCH-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- O=C(O)CCc1ccccc1
- Molecular Weight1
- 150.17
- CAS
- 501-52-0
- Other Names
-
- .beta.-phenylpropionic acid
- 3-Phenylpropanoic acid
- 3-Phenylpropionic acid
- Benzenepropanoic acid
- Benzenepropionic acid
- Benzylacetic acid
- Dihydrocinnamic acid
- NSC 9272
- Phenylpropanoic acid
- Phenylpropionic acid
- propanoic acid, 3-phenyl-
- propionic acid, 3-phenyl-
- «beta»-Phenylpropanoic acid
- «beta»-Phenylpropionic acid
- «beta»-Phenylpropanoic acid
- «beta»-Phenylpropionic acid
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | -128.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.79 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 102.40 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 61.33 | kJ/mol | Joback Calculated Property |
| IE | 9.00 ± 0.10 | eV | NIST |
| log10WS | -1.41 | Aq. Sol... | |
| logPoct/wat | 1.704 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3460.00 | kPa | Critica... |
| Inp | [230.64; 1369.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1366.50 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | Outlier 230.64 | NIST | |
| Inp | Outlier 230.64 | NIST | |
| I | [2603.00; 2650.00] |
|
|
| I | 2635.00 | NIST | |
| I | 2633.00 | NIST | |
| I | 2608.00 | NIST | |
| I | 2638.00 | NIST | |
| I | 2603.00 | NIST | |
| I | 2650.00 | NIST | |
| I | 2650.00 | NIST | |
| I | 2650.00 | NIST | |
| Tboil | 553.00 | K | NIST |
| Tc | 781.24 | K | Joback Calculated Property |
| Tfus | [320.00; 333.65] | K |
|
| Tfus | 333.65 | K | Aq. Sol... |
| Tfus | 321.00 ± 1.50 | K | NIST |
| Tfus | 321.15 ± 1.50 | K | NIST |
| Tfus | 320.00 ± 1.00 | K | NIST |
| Tfus | 321.60 ± 0.10 | K | NIST |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.36; 335.20] | J/mol×K | [578.05; 781.24] |
|
| Cp,gas | 281.36 | J/mol×K | 578.05 | Joback Calculated Property |
| Cp,gas | 291.87 | J/mol×K | 611.92 | Joback Calculated Property |
| Cp,gas | 301.73 | J/mol×K | 645.78 | Joback Calculated Property |
| Cp,gas | 310.96 | J/mol×K | 679.65 | Joback Calculated Property |
| Cp,gas | 319.60 | J/mol×K | 713.51 | Joback Calculated Property |
| Cp,gas | 327.67 | J/mol×K | 747.38 | Joback Calculated Property |
| Cp,gas | 335.20 | J/mol×K | 781.24 | Joback Calculated Property |
| η | [0.0001082; 0.0068844] | Pa×s | [328.36; 578.05] |
|
| η | 0.0068844 | Pa×s | 328.36 | Joback Calculated Property |
| η | 0.0023345 | Pa×s | 369.98 | Joback Calculated Property |
| η | 0.0009851 | Pa×s | 411.59 | Joback Calculated Property |
| η | 0.0004871 | Pa×s | 453.20 | Joback Calculated Property |
| η | 0.0002711 | Pa×s | 494.82 | Joback Calculated Property |
| η | 0.0001653 | Pa×s | 536.43 | Joback Calculated Property |
| η | 0.0001082 | Pa×s | 578.05 | Joback Calculated Property |
| ΔfusH | [15.56; 17.68] | kJ/mol | [321.20; 321.60] |
|
| ΔfusH | 15.61 | kJ/mol | 321.20 | NIST |
| ΔfusH | 17.68 | kJ/mol | 321.20 | NIST |
| ΔfusH | 17.68 | kJ/mol | 321.20 | NIST |
| ΔfusH | 15.56 | kJ/mol | 321.60 | NIST |
| ΔsubH | 102.00 ± 0.70 | kJ/mol | 310.00 | NIST |
| ΔvapH | 67.00 | kJ/mol | 464.00 | NIST |
| ΔfusS | 48.40 | J/mol×K | 321.60 | NIST |
Similar Compounds
Find more compounds similar to Hydrocinnamic acid.
Sources
- Crippen Method
- Critical-Point Measurements for Phenylethanoic to 7-Phenylheptanoic Acids
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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