- InChI
- InChI=1S/C14H15NO4/c1-2-18-13(16)4-3-5-14(17)19-12-8-6-11(10-15)7-9-12/h6-9H,2-5H2,1H3
- InChI Key
- RJYLVFHPOHIKBX-UHFFFAOYSA-N
- Formula
- C14H15NO4
- SMILES
- CCOC(=O)CCCC(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 261.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -164.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.49 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 2.197 | Crippen Calculated Property | |
| McVol | 200.620 | ml/mol | McGowan Calculated Property |
| Pc | 2106.13 | kPa | Joback Calculated Property |
| Inp | [2137.00; 2137.00] |
|
|
| Inp | 2137.00 | NIST | |
| Inp | 2137.00 | NIST | |
| Tboil | 806.04 | K | Joback Calculated Property |
| Tc | 1023.99 | K | Joback Calculated Property |
| Tfus | 495.79 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.40; 615.93] | J/mol×K | [806.04; 1023.99] |
|
| Cp,gas | 561.40 | J/mol×K | 806.04 | Joback Calculated Property |
| Cp,gas | 572.81 | J/mol×K | 842.37 | Joback Calculated Property |
| Cp,gas | 583.29 | J/mol×K | 878.69 | Joback Calculated Property |
| Cp,gas | 592.83 | J/mol×K | 915.02 | Joback Calculated Property |
| Cp,gas | 601.45 | J/mol×K | 951.34 | Joback Calculated Property |
| Cp,gas | 609.15 | J/mol×K | 987.67 | Joback Calculated Property |
| Cp,gas | 615.93 | J/mol×K | 1023.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-cyanophenyl ethyl ester.
Sources
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