- InChI
- InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
- InChI Key
- FGYDHYCFHBSNPE-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- CCOC(=O)C(C(=O)OCC)c1ccccc1
- Molecular Weight1
- 236.26
- CAS
- 83-13-6
- Other Names
-
- Malonic acid, phenyl-, diethyl ester
- Diethyl phenylmalonate
- Phenylmalonic acid diethyl ester
- 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).
- 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° | -299.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.73 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 1.896 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2414.74 | kPa | Joback Calculated Property |
| Tboil | 675.66 | K | Joback Calculated Property |
| Tc | 887.29 | K | Joback Calculated Property |
| Tfus | 392.01 | K | Joback Calculated Property |
| Vc | 0.698 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.00; 561.42] | J/mol×K | [675.66; 887.29] | 
|
| Cp,gas | 489.00 | J/mol×K | 675.66 | Joback Calculated Property |
| Cp,gas | 503.34 | J/mol×K | 710.93 | Joback Calculated Property |
| Cp,gas | 516.76 | J/mol×K | 746.20 | Joback Calculated Property |
| Cp,gas | 529.27 | J/mol×K | 781.48 | Joback Calculated Property |
| Cp,gas | 540.88 | J/mol×K | 816.75 | Joback Calculated Property |
| Cp,gas | 551.59 | J/mol×K | 852.02 | Joback Calculated Property |
| Cp,gas | 561.42 | J/mol×K | 887.29 | Joback Calculated Property |
| η | [0.0001247; 0.0015325] | Pa×s | [392.01; 675.66] |
|
| η | 0.0015325 | Pa×s | 392.01 | Joback Calculated Property |
| η | 0.0008056 | Pa×s | 439.29 | Joback Calculated Property |
| η | 0.0004799 | Pa×s | 486.56 | Joback Calculated Property |
| η | 0.0003133 | Pa×s | 533.84 | Joback Calculated Property |
| η | 0.0002193 | Pa×s | 581.11 | Joback Calculated Property |
| η | 0.0001619 | Pa×s | 628.38 | Joback Calculated Property |
| η | 0.0001247 | Pa×s | 675.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 444.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Propanedioic acid, phenyl-, diethyl ester.
Sources
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