- 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
- 178.18
- CAS
- 1603-79-8
- 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° | -217.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.06 | 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 | 3310.55 | kPa | Joback Calculated Property |
| Tboil | 537.76 | K | Relay (1.0) Calculated Property |
| Tc | 727.51 | K | Relay (1.0) Calculated Property |
| Tfus | 268.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.40; 379.03] | J/mol×K | [585.04; 805.88] | 
|
| Cp,gas | 316.40 | J/mol×K | 585.04 | Joback Calculated Property |
| Cp,gas | 328.74 | J/mol×K | 621.85 | Joback Calculated Property |
| Cp,gas | 340.30 | J/mol×K | 658.65 | Joback Calculated Property |
| Cp,gas | 351.09 | J/mol×K | 695.46 | Joback Calculated Property |
| Cp,gas | 361.13 | J/mol×K | 732.27 | Joback Calculated Property |
| Cp,gas | 370.44 | J/mol×K | 769.07 | Joback Calculated Property |
| Cp,gas | 379.03 | J/mol×K | 805.88 | Joback Calculated Property |
| η | [0.0002309; 0.0020137] | Pa×s | [350.97; 585.04] |
|
| η | 0.0020137 | Pa×s | 350.97 | Joback Calculated Property |
| η | 0.0011717 | Pa×s | 389.98 | Joback Calculated Property |
| η | 0.0007523 | Pa×s | 428.99 | Joback Calculated Property |
| η | 0.0005201 | Pa×s | 468.00 | Joback Calculated Property |
| η | 0.0003805 | Pa×s | 507.02 | Joback Calculated Property |
| η | 0.0002912 | Pa×s | 546.03 | Joback Calculated Property |
| η | 0.0002309 | Pa×s | 585.04 | 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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