- InChI
- InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)23-18-16-22(21-25)17-19-23/h16-19H,2-15,20H2,1H3
- InChI Key
- WXBONVHCLKVXBG-UHFFFAOYSA-N
- Formula
- C24H37NO2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1ccc(C#
N)cc1 - Molecular Weight1
- 371.56
- 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° | 153.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.59 | kJ/mol | Joback Calculated Property |
| log10WS | -8.35 | Crippen Calculated Property | |
| logPoct/wat | 7.196 | Crippen Calculated Property | |
| McVol | 334.080 | ml/mol | McGowan Calculated Property |
| Pc | 985.78 | kPa | Joback Calculated Property |
| Inp | 2848.00 | NIST | |
| Tboil | 958.55 | K | Joback Calculated Property |
| Tc | 1174.06 | K | Joback Calculated Property |
| Tfus | 536.33 | K | Joback Calculated Property |
| Vc | 1.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1101.17; 1182.15] | J/mol×K | [958.55; 1174.06] | 
|
| Cp,gas | 1101.17 | J/mol×K | 958.55 | Joback Calculated Property |
| Cp,gas | 1117.53 | J/mol×K | 994.47 | Joback Calculated Property |
| Cp,gas | 1132.68 | J/mol×K | 1030.39 | Joback Calculated Property |
| Cp,gas | 1146.65 | J/mol×K | 1066.30 | Joback Calculated Property |
| Cp,gas | 1159.52 | J/mol×K | 1102.22 | Joback Calculated Property |
| Cp,gas | 1171.33 | J/mol×K | 1138.14 | Joback Calculated Property |
| Cp,gas | 1182.15 | J/mol×K | 1174.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, hexadecyl ester.
Sources
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