- InChI
- InChI=1S/C16H19NO4/c1-2-3-11-20-15(18)5-4-6-16(19)21-14-9-7-13(12-17)8-10-14/h7-10H,2-6,11H2,1H3
- InChI Key
- YARCBKWABQXNIG-UHFFFAOYSA-N
- Formula
- C16H19NO4
- SMILES
-
CCCCOC(=O)CCCC(=O)Oc1ccc(C#N)c
c1 - Molecular Weight1
- 289.33
- 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 | 0.8741 | Relay (... Calculated Property | |
| ΔfG° | -148.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.86 | kJ/mol | Relay (... Calculated Property |
| IE | 9.10 | eV | Relay (... Calculated Property |
| log10WS | -3.86 | Relay (... Calculated Property | |
| logPoct/wat | 2.977 | Crippen Calculated Property | |
| McVol | 228.800 | ml/mol | McGowan Calculated Property |
| Pc | 1778.84 | kPa | Joback Calculated Property |
| Inp | 2347.00 | NIST | |
| Tboil | 639.00 | K | Relay (... Calculated Property |
| Tc | 848.16 | K | Relay (... Calculated Property |
| Tfus | 311.02 | K | Relay (... Calculated Property |
| Vc | 0.847 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [671.42; 728.64] | J/mol×K | [851.80; 1066.43] | 
|
| Cp,gas | 671.42 | J/mol×K | 851.80 | Joback Calculated Property |
| Cp,gas | 683.46 | J/mol×K | 887.57 | Joback Calculated Property |
| Cp,gas | 694.48 | J/mol×K | 923.34 | Joback Calculated Property |
| Cp,gas | 704.50 | J/mol×K | 959.11 | Joback Calculated Property |
| Cp,gas | 713.53 | J/mol×K | 994.88 | Joback Calculated Property |
| Cp,gas | 721.57 | J/mol×K | 1030.65 | Joback Calculated Property |
| Cp,gas | 728.64 | J/mol×K | 1066.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl 4-cyanophenyl ester.
Sources
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