- InChI
- InChI=1S/C19H14N2O4/c20-12-14-4-8-16(9-5-14)24-18(22)2-1-3-19(23)25-17-10-6-15(13-21)7-11-17/h4-11H,1-3H2
- InChI Key
- GQADUDRHRQFMRI-UHFFFAOYSA-N
- Formula
- C19H14N2O4
- SMILES
-
N#Cc1ccc(OC(=O)CCCC(=O)Oc2ccc(
C#N)cc2)cc1 - Molecular Weight1
- 334.33
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -291.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.02 | kJ/mol | Joback Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.111 | Crippen Calculated Property | |
| McVol | 248.690 | ml/mol | McGowan Calculated Property |
| Inp | 3190.00 | NIST | |
| Tboil | 695.91 | K | Relay (1.0) Calculated Property |
| Tfus | 428.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.86; 747.25] | J/mol×K | [1018.24; 1264.54] | 
|
| Cp,gas | 728.86 | J/mol×K | 1018.24 | Joback Calculated Property |
| Cp,gas | 735.18 | J/mol×K | 1059.29 | Joback Calculated Property |
| Cp,gas | 740.14 | J/mol×K | 1100.34 | Joback Calculated Property |
| Cp,gas | 743.79 | J/mol×K | 1141.39 | Joback Calculated Property |
| Cp,gas | 746.14 | J/mol×K | 1182.44 | Joback Calculated Property |
| Cp,gas | 747.25 | J/mol×K | 1223.49 | Joback Calculated Property |
| Cp,gas | 747.15 | J/mol×K | 1264.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(4-cyanophenyl) ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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