- InChI
- InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-22(24)21-16-14-20(19-23)15-17-21/h14-17H,2-13,18H2,1H3
- InChI Key
- GHWJYNVUWQLING-UHFFFAOYSA-N
- Formula
- C22H33NO2
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1ccc(C#N)
cc1 - Molecular Weight1
- 343.50
- 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° | 136.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.14 | kJ/mol | Joback Calculated Property |
| log10WS | -7.51 | Crippen Calculated Property | |
| logPoct/wat | 6.416 | Crippen Calculated Property | |
| McVol | 305.900 | ml/mol | McGowan Calculated Property |
| Pc | 1116.31 | kPa | Joback Calculated Property |
| Inp | [2640.00; 2640.00] |
|
|
| Inp | 2640.00 | NIST | |
| Inp | 2640.00 | NIST | |
| Tboil | 912.79 | K | Joback Calculated Property |
| Tc | 1121.96 | K | Joback Calculated Property |
| Tfus | 513.79 | K | Joback Calculated Property |
| Vc | 1.210 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [979.40; 1058.12] | J/mol×K | [912.79; 1121.96] |
|
| Cp,gas | 979.40 | J/mol×K | 912.79 | Joback Calculated Property |
| Cp,gas | 995.17 | J/mol×K | 947.65 | Joback Calculated Property |
| Cp,gas | 1009.82 | J/mol×K | 982.51 | Joback Calculated Property |
| Cp,gas | 1023.40 | J/mol×K | 1017.37 | Joback Calculated Property |
| Cp,gas | 1035.94 | J/mol×K | 1052.24 | Joback Calculated Property |
| Cp,gas | 1047.50 | J/mol×K | 1087.10 | Joback Calculated Property |
| Cp,gas | 1058.12 | J/mol×K | 1121.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, tetradecyl ester.
Sources
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