- InChI
- InChI=1S/C16H21NO2/c1-2-3-4-5-6-7-12-19-16(18)15-10-8-14(13-17)9-11-15/h8-11H,2-7,12H2,1H3
- InChI Key
- SKJQGJGHSZPIFH-UHFFFAOYSA-N
- Formula
- C16H21NO2
- SMILES
- CCCCCCCCOC(=O)c1ccc(C#N)cc1
- Molecular Weight1
- 259.34
- 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° | 85.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.78 | kJ/mol | Joback Calculated Property |
| log10WS | -5.00 | Crippen Calculated Property | |
| logPoct/wat | 4.076 | Crippen Calculated Property | |
| McVol | 221.360 | ml/mol | McGowan Calculated Property |
| Pc | 1711.78 | kPa | Joback Calculated Property |
| Inp | [1920.00; 1920.00] |
|
|
| Inp | 1920.00 | NIST | |
| Inp | 1920.00 | NIST | |
| Tboil | 775.51 | K | Joback Calculated Property |
| Tc | 984.39 | K | Joback Calculated Property |
| Tfus | 446.17 | K | Joback Calculated Property |
| Vc | 0.874 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [631.90; 703.11] | J/mol×K | [775.51; 984.39] |
|
| Cp,gas | 631.90 | J/mol×K | 775.51 | Joback Calculated Property |
| Cp,gas | 646.00 | J/mol×K | 810.32 | Joback Calculated Property |
| Cp,gas | 659.17 | J/mol×K | 845.14 | Joback Calculated Property |
| Cp,gas | 671.44 | J/mol×K | 879.95 | Joback Calculated Property |
| Cp,gas | 682.84 | J/mol×K | 914.77 | Joback Calculated Property |
| Cp,gas | 693.38 | J/mol×K | 949.58 | Joback Calculated Property |
| Cp,gas | 703.11 | J/mol×K | 984.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, octyl ester.
Sources
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