- InChI
- InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
- InChI Key
- FAQJJMHZNSSFSM-UHFFFAOYSA-N
- Formula
- C8H6O3
- SMILES
- O=C(O)C(=O)c1ccccc1
- Molecular Weight1
- 150.13
- CAS
- 611-73-4
- Other Names
-
- Phenylglyoxylic acid
- Benzeneacetic acid, «alpha»-oxo-
- «alpha»-Ketophenylacetic acid
- Benzeneglyoxylic acid
- Formic acid, benzoyl-
- Glyoxylic acid, phenyl-
- Oxophenylacetic acid
- Phenylgloxylic acid
- 2-Oxo-2-phenylacetic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -3518.35 ± 0.70 | kJ/mol | NIST |
| ΔfG° | -265.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -388.70 ± 1.00 | kJ/mol | NIST |
| ΔfH°solid | -487.22 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 17.80 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 98.50 | kJ/mol | NIST |
| ΔvapH° | 65.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 0.954 | Crippen Calculated Property | |
| McVol | 108.830 | ml/mol | McGowan Calculated Property |
| Pc | 4842.69 | kPa | Joback Calculated Property |
| Tboil | 609.04 | K | Joback Calculated Property |
| Tc | 823.00 | K | Joback Calculated Property |
| Tfus | 338.90 ± 0.50 | K | NIST |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.74; 288.67] | J/mol×K | [609.04; 823.00] | 
|
| Cp,gas | 246.74 | J/mol×K | 609.04 | Joback Calculated Property |
| Cp,gas | 255.16 | J/mol×K | 644.70 | Joback Calculated Property |
| Cp,gas | 262.97 | J/mol×K | 680.36 | Joback Calculated Property |
| Cp,gas | 270.20 | J/mol×K | 716.02 | Joback Calculated Property |
| Cp,gas | 276.87 | J/mol×K | 751.68 | Joback Calculated Property |
| Cp,gas | 283.02 | J/mol×K | 787.34 | Joback Calculated Property |
| Cp,gas | 288.67 | J/mol×K | 823.00 | Joback Calculated Property |
| Cp,solid | 192.90 | J/mol×K | 298.15 | NIST |
| η | [0.0001103; 0.0039687] | Pa×s | [367.02; 609.04] |
|
| η | 0.0039687 | Pa×s | 367.02 | Joback Calculated Property |
| η | 0.0016252 | Pa×s | 407.36 | Joback Calculated Property |
| η | 0.0007817 | Pa×s | 447.69 | Joback Calculated Property |
| η | 0.0004244 | Pa×s | 488.03 | Joback Calculated Property |
| η | 0.0002529 | Pa×s | 528.37 | Joback Calculated Property |
| η | 0.0001622 | Pa×s | 568.70 | Joback Calculated Property |
| η | 0.0001103 | Pa×s | 609.04 | Joback Calculated Property |
| ΔfusH | 21.80 | kJ/mol | 338.90 | NIST |
Similar Compounds
Find more compounds similar to Benzoylformic acid.
Sources
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