- InChI
- InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
- InChI Key
- KKADPXVIOXHVKN-UHFFFAOYSA-N
- Formula
- C9H8O4
- SMILES
- O=C(O)C(=O)Cc1ccc(O)cc1
- Molecular Weight1
- 180.16
- CAS
- 156-39-8
- Other Names
-
- Pyruvic acid, (p-hydroxyphenyl)-
- (p-Hydroxyphenyl)pyruvic acid
- Testacid
- 3-(p-Hydroxyphenyl)-2-oxopropanoic acid
- 4-Hydroxyphenylpyruvic 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
- 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° | -411.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.09 | kJ/mol | Joback Calculated Property |
| log10WS | -0.62 | Crippen Calculated Property | |
| logPoct/wat | 0.588 | Crippen Calculated Property | |
| McVol | 128.790 | ml/mol | McGowan Calculated Property |
| Pc | 5220.69 | kPa | Joback Calculated Property |
| Inp | [1347.00; 1365.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Tboil | 712.54 | K | Joback Calculated Property |
| Tc | 931.70 | K | Joback Calculated Property |
| Tfus | 490.01 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.22; 373.31] | J/mol×K | [712.54; 931.70] |
|
| Cp,gas | 332.22 | J/mol×K | 712.54 | Joback Calculated Property |
| Cp,gas | 340.12 | J/mol×K | 749.07 | Joback Calculated Property |
| Cp,gas | 347.50 | J/mol×K | 785.59 | Joback Calculated Property |
| Cp,gas | 354.44 | J/mol×K | 822.12 | Joback Calculated Property |
| Cp,gas | 361.01 | J/mol×K | 858.64 | Joback Calculated Property |
| Cp,gas | 367.27 | J/mol×K | 895.17 | Joback Calculated Property |
| Cp,gas | 373.31 | J/mol×K | 931.70 | Joback Calculated Property |
| η | [0.0000064; 0.0002777] | Pa×s | [490.01; 712.54] |
|
| η | 0.0002777 | Pa×s | 490.01 | Joback Calculated Property |
| η | 0.0001188 | Pa×s | 527.10 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 564.19 | Joback Calculated Property |
| η | 0.0000297 | Pa×s | 601.28 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 638.36 | Joback Calculated Property |
| η | 0.0000101 | Pa×s | 675.45 | Joback Calculated Property |
| η | 0.0000064 | Pa×s | 712.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, 4-hydroxy-«alpha»-oxo-.
Sources
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