- InChI
- InChI=1S/C18H16O4/c1-2-22-18(21)15(16(19)13-9-5-3-6-10-13)17(20)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
- InChI Key
- JHWPTSCKSATEQK-UHFFFAOYSA-N
- Formula
- C18H16O4
- SMILES
-
CCOC(=O)C(C(=O)c1ccccc1)C(=O)c
1ccccc1 - Molecular Weight1
- 296.32
- CAS
- 4850-82-2
- Other Names
-
- ethyl 2-benzoyl-3-oxo-3-phenylpropionate
- 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).
- 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 | 0.6376 | Relay (1.0) Calculated Property | |
| ΔfG° | -245.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.931 | Crippen Calculated Property | |
| McVol | 227.540 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Tboil | 640.26 | K | Relay (1.0) Calculated Property |
| Tc | 901.16 | K | Relay (1.0) Calculated Property |
| Tfus | 356.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.798 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.23; 710.17] | J/mol×K | [830.32; 1068.01] | 
|
| Cp,gas | 651.23 | J/mol×K | 830.32 | Joback Calculated Property |
| Cp,gas | 664.16 | J/mol×K | 869.94 | Joback Calculated Property |
| Cp,gas | 675.75 | J/mol×K | 909.55 | Joback Calculated Property |
| Cp,gas | 686.09 | J/mol×K | 949.17 | Joback Calculated Property |
| Cp,gas | 695.22 | J/mol×K | 988.78 | Joback Calculated Property |
| Cp,gas | 703.23 | J/mol×K | 1028.40 | Joback Calculated Property |
| Cp,gas | 710.17 | J/mol×K | 1068.01 | Joback Calculated Property |
| η | [0.0000748; 0.0011441] | Pa×s | [472.65; 830.32] |
|
| η | 0.0011441 | Pa×s | 472.65 | Joback Calculated Property |
| η | 0.0005631 | Pa×s | 532.26 | Joback Calculated Property |
| η | 0.0003197 | Pa×s | 591.87 | Joback Calculated Property |
| η | 0.0002013 | Pa×s | 651.49 | Joback Calculated Property |
| η | 0.0001370 | Pa×s | 711.10 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 770.71 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 830.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzoylacetic acid, ethyl ester.
Sources
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