- InChI
- InChI=1S/C24H37NO2/c1-3-5-6-7-8-9-10-11-12-13-15-23(14-4-2)27-24(26)22-18-16-21(20-25)17-19-22/h16-19,23H,3-15H2,1-2H3
- InChI Key
- KEOGVJFULGMUAY-UHFFFAOYSA-N
- Formula
- C24H37NO2
- SMILES
-
CCCCCCCCCCCCC(CCC)OC(=O)c1ccc(
C#N)cc1 - Molecular Weight1
- 371.56
- 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 | 1.0608 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.195 | Crippen Calculated Property | |
| McVol | 334.080 | ml/mol | McGowan Calculated Property |
| Pc | 990.75 | kPa | Joback Calculated Property |
| Inp | 2541.00 | NIST | |
| Tboil | 672.74 | K | Relay (1.0) Calculated Property |
| Tc | 891.56 | K | Relay (1.0) Calculated Property |
| Tfus | 304.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.243 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1101.58; 1182.18] | J/mol×K | [958.11; 1174.00] | 
|
| Cp,gas | 1101.58 | J/mol×K | 958.11 | Joback Calculated Property |
| Cp,gas | 1117.92 | J/mol×K | 994.09 | Joback Calculated Property |
| Cp,gas | 1133.02 | J/mol×K | 1030.07 | Joback Calculated Property |
| Cp,gas | 1146.94 | J/mol×K | 1066.05 | Joback Calculated Property |
| Cp,gas | 1159.74 | J/mol×K | 1102.03 | Joback Calculated Property |
| Cp,gas | 1171.46 | J/mol×K | 1138.02 | Joback Calculated Property |
| Cp,gas | 1182.18 | J/mol×K | 1174.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, 4-hexadecyl ester.
Sources
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