- InChI
- InChI=1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+
- InChI Key
- PLPDHGOODMBBGN-VOTSOKGWSA-N
- Formula
- C10H8O3
- SMILES
- O=C(O)C=CC(=O)c1ccccc1
- Molecular Weight1
- 176.17
- CAS
- 583-06-2
- Other Names
-
- 2-Butenoic acid, 4-oxo-4-phenyl-
- 3-Benzoylacrylic acid
- Acrylic acid, 3-benzoyl-
- Crotonic acid, 4-oxo-4-phenyl-
- «beta»-Benzoylacrylic acid
- 4-Oxo-4-phenyl-2-butenoic acid
- NSC 143
- ω : Acentric Factor.
- 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).
- 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 | 0.7157 | Relay (1.0) Calculated Property | |
| ΔfG° | -246.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.510 | Crippen Calculated Property | |
| McVol | 132.710 | ml/mol | McGowan Calculated Property |
| Pc | 3704.46 | kPa | Joback Calculated Property |
| Tboil | 574.60 | K | Relay (1.0) Calculated Property |
| Tc | 803.41 | K | Relay (1.0) Calculated Property |
| Tfus | 411.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.463 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.21; 370.15] | J/mol×K | [658.62; 894.89] | 
|
| Cp,gas | 320.21 | J/mol×K | 658.62 | Joback Calculated Property |
| Cp,gas | 330.39 | J/mol×K | 698.00 | Joback Calculated Property |
| Cp,gas | 339.73 | J/mol×K | 737.38 | Joback Calculated Property |
| Cp,gas | 348.30 | J/mol×K | 776.75 | Joback Calculated Property |
| Cp,gas | 356.18 | J/mol×K | 816.13 | Joback Calculated Property |
| Cp,gas | 363.44 | J/mol×K | 855.51 | Joback Calculated Property |
| Cp,gas | 370.15 | J/mol×K | 894.89 | Joback Calculated Property |
| η | [0.0001872; 0.0011156] | Pa×s | [434.33; 658.62] |
|
| η | 0.0011156 | Pa×s | 434.33 | Joback Calculated Property |
| η | 0.0007364 | Pa×s | 471.71 | Joback Calculated Property |
| η | 0.0005166 | Pa×s | 509.09 | Joback Calculated Property |
| η | 0.0003805 | Pa×s | 546.47 | Joback Calculated Property |
| η | 0.0002914 | Pa×s | 583.86 | Joback Calculated Property |
| η | 0.0002304 | Pa×s | 621.24 | Joback Calculated Property |
| η | 0.0001872 | Pa×s | 658.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoylacrylic acid.
Sources
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