- InChI
- InChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26-23(25)22-17-15-21(20-24)16-18-22/h15-18H,2-14,19H2,1H3
- InChI Key
- WXVFKSKXNUHSII-UHFFFAOYSA-N
- Formula
- C23H35NO2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccc(C#N
)cc1 - Molecular Weight1
- 357.53
- 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° | 144.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.36 | kJ/mol | Joback Calculated Property |
| log10WS | -7.93 | Crippen Calculated Property | |
| logPoct/wat | 6.806 | Crippen Calculated Property | |
| McVol | 319.990 | ml/mol | McGowan Calculated Property |
| Pc | 1048.01 | kPa | Joback Calculated Property |
| Inp | 2740.00 | NIST | |
| Tboil | 935.67 | K | Joback Calculated Property |
| Tc | 1147.55 | K | Joback Calculated Property |
| Tfus | 525.06 | K | Joback Calculated Property |
| Vc | 1.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1039.98; 1119.80] | J/mol×K | [935.67; 1147.55] | 
|
| Cp,gas | 1039.98 | J/mol×K | 935.67 | Joback Calculated Property |
| Cp,gas | 1056.04 | J/mol×K | 970.98 | Joback Calculated Property |
| Cp,gas | 1070.93 | J/mol×K | 1006.30 | Joback Calculated Property |
| Cp,gas | 1084.69 | J/mol×K | 1041.61 | Joback Calculated Property |
| Cp,gas | 1097.40 | J/mol×K | 1076.92 | Joback Calculated Property |
| Cp,gas | 1109.08 | J/mol×K | 1112.24 | Joback Calculated Property |
| Cp,gas | 1119.80 | J/mol×K | 1147.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, pentadecyl ester.
Sources
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