- InChI
- InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
- InChI Key
- QKLCQKPAECHXCQ-UHFFFAOYSA-N
- Formula
- C10H10O3
- SMILES
- CCOC(=O)C(=O)c1ccccc1
- Molecular Weight1
- 178.19
- Other Names
-
- Glyoxylic acid, phenyl-, ethyl ester
- Ethyl benzoylformate
- Ethyl oxophenylacetate
- Ethyl phenylglyoxylate
- Ethyl 2-oxo-2-phenylacetate
- Phenylglyoxylic acid ethyl ester
- 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).
- 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 | 0.5561 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.432 | Crippen Calculated Property | |
| McVol | 137.010 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | 537.76 | K | Relay (1.0) Calculated Property |
| Tc | 730.39 | K | Relay (1.0) Calculated Property |
| Tfus | 262.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.25; 377.15] | J/mol×K | [567.17; 785.68] | 
|
| Cp,gas | 313.25 | J/mol×K | 567.17 | Joback Calculated Property |
| Cp,gas | 325.94 | J/mol×K | 603.59 | Joback Calculated Property |
| Cp,gas | 337.78 | J/mol×K | 640.01 | Joback Calculated Property |
| Cp,gas | 348.80 | J/mol×K | 676.43 | Joback Calculated Property |
| Cp,gas | 359.03 | J/mol×K | 712.85 | Joback Calculated Property |
| Cp,gas | 368.47 | J/mol×K | 749.26 | Joback Calculated Property |
| Cp,gas | 377.15 | J/mol×K | 785.68 | Joback Calculated Property |
| η | [0.0002110; 0.0028280] | Pa×s | [321.14; 567.17] |
|
| η | 0.0028280 | Pa×s | 321.14 | Joback Calculated Property |
| η | 0.0014364 | Pa×s | 362.14 | Joback Calculated Property |
| η | 0.0008373 | Pa×s | 403.15 | Joback Calculated Property |
| η | 0.0005393 | Pa×s | 444.15 | Joback Calculated Property |
| η | 0.0003741 | Pa×s | 485.16 | Joback Calculated Property |
| η | 0.0002748 | Pa×s | 526.16 | Joback Calculated Property |
| η | 0.0002110 | Pa×s | 567.17 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 411.70 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, .alpha.-oxo-, ethyl ester.
Sources
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