- InChI
- InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
- InChI Key
- BTNMPGBKDVTSJY-UHFFFAOYSA-N
- Formula
- C9H8O3
- SMILES
- O=C(O)C(=O)Cc1ccccc1
- Molecular Weight1
- 164.16
- CAS
- 156-06-9
- Other Names
-
- Pyruvic acid, phenyl-
- «beta»-Phenylpyruvic acid
- Phenylpyroracemic acid
- Phenylpyruvic acid
- 2-Oxo-3-phenylpropanoic acid
- 3-Phenyl-2-oxopropanoic acid
- 3-Phenylpyruvic acid
- 114-76-1 (hydrochloride)
- 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).
- 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° | -257.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.07 | kJ/mol | Joback Calculated Property |
| log10WS | -1.07 | Crippen Calculated Property | |
| logPoct/wat | 0.883 | Crippen Calculated Property | |
| McVol | 122.920 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Tboil | 631.92 | K | Joback Calculated Property |
| Tc | 842.40 | K | Joback Calculated Property |
| Tfus | 378.29 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.62; 339.17] | J/mol×K | [631.92; 842.40] | 
|
| Cp,gas | 292.62 | J/mol×K | 631.92 | Joback Calculated Property |
| Cp,gas | 301.90 | J/mol×K | 667.00 | Joback Calculated Property |
| Cp,gas | 310.54 | J/mol×K | 702.08 | Joback Calculated Property |
| Cp,gas | 318.55 | J/mol×K | 737.16 | Joback Calculated Property |
| Cp,gas | 325.97 | J/mol×K | 772.24 | Joback Calculated Property |
| Cp,gas | 332.84 | J/mol×K | 807.32 | Joback Calculated Property |
| Cp,gas | 339.17 | J/mol×K | 842.40 | Joback Calculated Property |
| η | [0.0000943; 0.0034870] | Pa×s | [378.29; 631.92] |
|
| η | 0.0034870 | Pa×s | 378.29 | Joback Calculated Property |
| η | 0.0014117 | Pa×s | 420.56 | Joback Calculated Property |
| η | 0.0006742 | Pa×s | 462.83 | Joback Calculated Property |
| η | 0.0003643 | Pa×s | 505.11 | Joback Calculated Property |
| η | 0.0002165 | Pa×s | 547.38 | Joback Calculated Property |
| η | 0.0001387 | Pa×s | 589.65 | Joback Calculated Property |
| η | 0.0000943 | Pa×s | 631.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, «alpha»-oxo-.
Sources
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