- InChI
- InChI=1S/C19H25NO4/c1-3-4-5-7-15(2)23-18(21)8-6-9-19(22)24-17-12-10-16(14-20)11-13-17/h10-13,15H,3-9H2,1-2H3
- InChI Key
- DAZRCVWSJIFVFU-UHFFFAOYSA-N
- Formula
- C19H25NO4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1ccc(
C#N)cc1 - Molecular Weight1
- 331.41
- 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).
- ΔvapH° : Enthalpy of vaporization 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 | -682.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.146 | Crippen Calculated Property | |
| McVol | 271.070 | ml/mol | McGowan Calculated Property |
| Inp | [2518.00; 2518.00] |
|
|
| Inp | 2518.00 | NIST | |
| Inp | 2518.00 | NIST | |
| Tboil | 652.76 | K | Relay (1.0) Calculated Property |
| Tfus | 306.35 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [843.30; 902.68] | J/mol×K | [920.00; 1136.39] |
|
| Cp,gas | 843.30 | J/mol×K | 920.00 | Joback Calculated Property |
| Cp,gas | 856.08 | J/mol×K | 956.06 | Joback Calculated Property |
| Cp,gas | 867.67 | J/mol×K | 992.13 | Joback Calculated Property |
| Cp,gas | 878.11 | J/mol×K | 1028.19 | Joback Calculated Property |
| Cp,gas | 887.40 | J/mol×K | 1064.26 | Joback Calculated Property |
| Cp,gas | 895.59 | J/mol×K | 1100.32 | Joback Calculated Property |
| Cp,gas | 902.68 | J/mol×K | 1136.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 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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