- InChI
- InChI=1S/C19H27NO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)18-13-11-17(16-20)12-14-18/h11-14H,2-10,15H2,1H3
- InChI Key
- CERKUVNHDXVIQZ-UHFFFAOYSA-N
- Formula
- C19H27NO2
- SMILES
- CCCCCCCCCCCOC(=O)c1ccc(C#N)cc1
- Molecular Weight1
- 301.42
- 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 | 0.9376 | Relay (1.0) Calculated Property | |
| ΔfG° | 111.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.246 | Crippen Calculated Property | |
| McVol | 263.630 | ml/mol | McGowan Calculated Property |
| Pc | 1366.68 | kPa | Joback Calculated Property |
| Inp | 2313.30 | NIST | |
| Tboil | 643.00 | K | Relay (1.0) Calculated Property |
| Tc | 860.82 | K | Relay (1.0) Calculated Property |
| Tfus | 321.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.992 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.85; 877.26] | J/mol×K | [844.15; 1050.07] | 
|
| Cp,gas | 801.85 | J/mol×K | 844.15 | Joback Calculated Property |
| Cp,gas | 816.83 | J/mol×K | 878.47 | Joback Calculated Property |
| Cp,gas | 830.81 | J/mol×K | 912.79 | Joback Calculated Property |
| Cp,gas | 843.80 | J/mol×K | 947.11 | Joback Calculated Property |
| Cp,gas | 855.85 | J/mol×K | 981.43 | Joback Calculated Property |
| Cp,gas | 866.99 | J/mol×K | 1015.75 | Joback Calculated Property |
| Cp,gas | 877.26 | J/mol×K | 1050.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, undecyl ester.
Sources
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