- InChI
- InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-14-21-18(20)17-12-10-16(15-19)11-13-17/h10-13H,2-9,14H2,1H3
- InChI Key
- DNLLYQQKAAVLPE-UHFFFAOYSA-N
- Formula
- C18H25NO2
- SMILES
- CCCCCCCCCCOC(=O)c1ccc(C#N)cc1
- Molecular Weight1
- 287.40
- 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° | 102.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.23 | kJ/mol | Joback Calculated Property |
| log10WS | -5.83 | Crippen Calculated Property | |
| logPoct/wat | 4.856 | Crippen Calculated Property | |
| McVol | 249.540 | ml/mol | McGowan Calculated Property |
| Pc | 1469.10 | kPa | Joback Calculated Property |
| Inp | 2220.00 | NIST | |
| Tboil | 821.27 | K | Joback Calculated Property |
| Tc | 1027.55 | K | Joback Calculated Property |
| Tfus | 468.71 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.27; 818.44] | J/mol×K | [821.27; 1027.55] | 
|
| Cp,gas | 744.27 | J/mol×K | 821.27 | Joback Calculated Property |
| Cp,gas | 758.98 | J/mol×K | 855.65 | Joback Calculated Property |
| Cp,gas | 772.71 | J/mol×K | 890.03 | Joback Calculated Property |
| Cp,gas | 785.49 | J/mol×K | 924.41 | Joback Calculated Property |
| Cp,gas | 797.35 | J/mol×K | 958.79 | Joback Calculated Property |
| Cp,gas | 808.32 | J/mol×K | 993.17 | Joback Calculated Property |
| Cp,gas | 818.44 | J/mol×K | 1027.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, decyl ester.
Sources
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