- InChI
- InChI=1S/C14H16O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
- InChI Key
- VUWPIBNKJSEYIN-UHFFFAOYSA-N
- Formula
- C14H16O4
- SMILES
- CCOC(=O)C(=Cc1ccccc1)C(=O)OCC
- Molecular Weight1
- 248.27
- CAS
- 5292-53-5
- Other Names
-
- Malonic acid, benzylidene-, diethyl ester
- Benzylidenemalonic acid diethyl ester
- Diethyl benzalmalonate
- Diethyl benzylidenemalonate
- Ethyl benzylidenemalonate
- «beta»,«beta»-Diethoxycarbonylstyrene
- Diethyl (phenylmethylene)malonate
- 2-Benzylidene-malonic acid diethyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -216.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 2.196 | Crippen Calculated Property | |
| McVol | 194.940 | ml/mol | McGowan Calculated Property |
| Pc | 2306.95 | kPa | Joback Calculated Property |
| Tboil | 703.02 | K | Joback Calculated Property |
| Tc | 918.65 | K | Joback Calculated Property |
| Tfus | 399.24 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.28; 588.35] | J/mol×K | [703.02; 918.65] | 
|
| Cp,gas | 517.28 | J/mol×K | 703.02 | Joback Calculated Property |
| Cp,gas | 531.41 | J/mol×K | 738.96 | Joback Calculated Property |
| Cp,gas | 544.59 | J/mol×K | 774.90 | Joback Calculated Property |
| Cp,gas | 556.84 | J/mol×K | 810.83 | Joback Calculated Property |
| Cp,gas | 568.20 | J/mol×K | 846.77 | Joback Calculated Property |
| Cp,gas | 578.70 | J/mol×K | 882.71 | Joback Calculated Property |
| Cp,gas | 588.35 | J/mol×K | 918.65 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [469.20; 489.20] | K | [1.90; 4.00] |
|
| Tboilr | 469.20 | K | 1.90 | NIST |
| Tboilr | 489.20 | K | 4.00 | NIST |
Similar Compounds
Find more compounds similar to Propanedioic acid, (phenylmethylene)-, diethyl ester.
Sources
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