- InChI
- InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3
- InChI Key
- YLHXLHGIAMFFBU-UHFFFAOYSA-N
- Formula
- C9H8O3
- SMILES
- COC(=O)C(=O)c1ccccc1
- Molecular Weight1
- 164.16
- CAS
- 15206-55-0
- Other Names
-
- Methyl benzoylformate
- Methyl phenylglyoxylate
- Methyl phenylglyoxalate
- Benzoylformic acid methyl ester
- Glyoxylic acid, phenyl-, methyl ester
- Methyl oxophenylacetate
- Phenylglyoxylic acid, methyl ester
- Vicure 55
- «alpha»-Oxobenzeneacetic acid methyl ester
- NSC 171206
- Methyl 2-oxo-2-phenylacetate
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5219 | Relay (1.0) Calculated Property | |
| ΔfG° | -225.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -353.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.042 | Crippen Calculated Property | |
| McVol | 122.920 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Inp | 1335.10 | NIST | |
| Tboil | 520.20 | K | NIST |
| Tc | 724.86 | K | Relay (1.0) Calculated Property |
| Tfus | 289.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.90; 328.77] | J/mol×K | [562.16; 787.10] | 
|
| Cp,gas | 270.90 | J/mol×K | 562.16 | Joback Calculated Property |
| Cp,gas | 282.33 | J/mol×K | 599.65 | Joback Calculated Property |
| Cp,gas | 293.03 | J/mol×K | 637.14 | Joback Calculated Property |
| Cp,gas | 303.00 | J/mol×K | 674.63 | Joback Calculated Property |
| Cp,gas | 312.27 | J/mol×K | 712.12 | Joback Calculated Property |
| Cp,gas | 320.86 | J/mol×K | 749.61 | Joback Calculated Property |
| Cp,gas | 328.77 | J/mol×K | 787.10 | Joback Calculated Property |
| η | [0.0002505; 0.0020532] | Pa×s | [339.70; 562.16] |
|
| η | 0.0020532 | Pa×s | 339.70 | Joback Calculated Property |
| η | 0.0012169 | Pa×s | 376.78 | Joback Calculated Property |
| η | 0.0007921 | Pa×s | 413.85 | Joback Calculated Property |
| η | 0.0005533 | Pa×s | 450.93 | Joback Calculated Property |
| η | 0.0004082 | Pa×s | 488.01 | Joback Calculated Property |
| η | 0.0003143 | Pa×s | 525.08 | Joback Calculated Property |
| η | 0.0002505 | Pa×s | 562.16 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 410.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, «alpha»-oxo-, methyl ester.
Sources
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