- 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
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.9368 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.111 | Crippen Calculated Property | |
| McVol | 248.690 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Inp | 3190.00 | NIST | |
| Tboil | 695.91 | K | Relay (1.0) Calculated Property |
| Tc | 976.12 | K | Relay (1.0) Calculated Property |
| Tfus | 430.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.900 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.84; 755.40] | J/mol×K | [1054.18; 1304.79] | 
|
| Cp,gas | 734.84 | J/mol×K | 1054.18 | Joback Calculated Property |
| Cp,gas | 741.36 | J/mol×K | 1095.95 | Joback Calculated Property |
| Cp,gas | 746.60 | J/mol×K | 1137.72 | Joback Calculated Property |
| Cp,gas | 750.59 | J/mol×K | 1179.48 | Joback Calculated Property |
| Cp,gas | 753.36 | J/mol×K | 1221.25 | Joback Calculated Property |
| Cp,gas | 754.95 | J/mol×K | 1263.02 | Joback Calculated Property |
| Cp,gas | 755.40 | J/mol×K | 1304.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(4-cyanophenyl) ester.
Sources
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