- InChI
- InChI=1S/C19H25NO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)18-13-11-17(16-20)12-14-18/h2,11-14H,1,3-10,15H2
- InChI Key
- RSIRLJLMIYIZFR-UHFFFAOYSA-N
- Formula
- C19H25NO2
- SMILES
-
C=CCCCCCCCCCOC(=O)c1ccc(C#N)cc
1 - Molecular Weight1
- 299.41
- 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° | 198.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.79 | kJ/mol | Joback Calculated Property |
| log10WS | -6.11 | Crippen Calculated Property | |
| logPoct/wat | 5.022 | Crippen Calculated Property | |
| McVol | 259.330 | ml/mol | McGowan Calculated Property |
| Pc | 1410.13 | kPa | Joback Calculated Property |
| Inp | [2322.00; 2322.00] |
|
|
| Inp | 2322.00 | NIST | |
| Inp | 2322.00 | NIST | |
| Tboil | 840.83 | K | Joback Calculated Property |
| Tc | 1048.65 | K | Joback Calculated Property |
| Tfus | 478.22 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [774.67; 847.75] | J/mol×K | [840.83; 1048.65] |
|
| Cp,gas | 774.67 | J/mol×K | 840.83 | Joback Calculated Property |
| Cp,gas | 789.17 | J/mol×K | 875.47 | Joback Calculated Property |
| Cp,gas | 802.68 | J/mol×K | 910.10 | Joback Calculated Property |
| Cp,gas | 815.26 | J/mol×K | 944.74 | Joback Calculated Property |
| Cp,gas | 826.94 | J/mol×K | 979.37 | Joback Calculated Property |
| Cp,gas | 837.75 | J/mol×K | 1014.01 | Joback Calculated Property |
| Cp,gas | 847.75 | J/mol×K | 1048.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, undec-10-enyl ester.
Sources
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