- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -168.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 2.931 | Crippen Calculated Property | |
| McVol | 227.540 | ml/mol | McGowan Calculated Property |
| Pc | 2258.96 | kPa | Joback Calculated Property |
| Tboil | 848.19 | K | Joback Calculated Property |
| Tc | 1087.34 | K | Joback Calculated Property |
| Tfus | 502.48 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.94; 713.90] | J/mol×K | [848.19; 1087.34] | 
|
| Cp,gas | 654.94 | J/mol×K | 848.19 | Joback Calculated Property |
| Cp,gas | 667.70 | J/mol×K | 888.05 | Joback Calculated Property |
| Cp,gas | 679.20 | J/mol×K | 927.91 | Joback Calculated Property |
| Cp,gas | 689.51 | J/mol×K | 967.77 | Joback Calculated Property |
| Cp,gas | 698.68 | J/mol×K | 1007.63 | Joback Calculated Property |
| Cp,gas | 706.79 | J/mol×K | 1047.48 | Joback Calculated Property |
| Cp,gas | 713.90 | J/mol×K | 1087.34 | Joback Calculated Property |
| η | [0.0000851; 0.0009476] | Pa×s | [502.48; 848.19] |
|
| η | 0.0009476 | Pa×s | 502.48 | Joback Calculated Property |
| η | 0.0005158 | Pa×s | 560.10 | Joback Calculated Property |
| η | 0.0003145 | Pa×s | 617.72 | Joback Calculated Property |
| η | 0.0002087 | Pa×s | 675.34 | Joback Calculated Property |
| η | 0.0001477 | Pa×s | 732.95 | Joback Calculated Property |
| η | 0.0001099 | Pa×s | 790.57 | Joback Calculated Property |
| η | 0.0000851 | Pa×s | 848.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzoylacetic acid, ethyl ester.
Sources
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