- InChI
- InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-8-13-20-17(19)16-11-9-15(14-18)10-12-16/h9-12H,2-8,13H2,1H3
- InChI Key
- DRVHHMDHRUJORH-UHFFFAOYSA-N
- Formula
- C17H23NO2
- SMILES
- CCCCCCCCCOC(=O)c1ccc(C#N)cc1
- Molecular Weight1
- 273.37
- 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° | 94.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 4.466 | Crippen Calculated Property | |
| McVol | 235.450 | ml/mol | McGowan Calculated Property |
| Pc | 1583.49 | kPa | Joback Calculated Property |
| Inp | [2142.10; 2142.10] |
|
|
| Inp | 2142.10 | NIST | |
| Inp | 2142.10 | NIST | |
| Tboil | 798.39 | K | Joback Calculated Property |
| Tc | 1005.68 | K | Joback Calculated Property |
| Tfus | 457.44 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.59; 760.38] | J/mol×K | [798.39; 1005.68] |
|
| Cp,gas | 687.59 | J/mol×K | 798.39 | Joback Calculated Property |
| Cp,gas | 702.02 | J/mol×K | 832.94 | Joback Calculated Property |
| Cp,gas | 715.48 | J/mol×K | 867.49 | Joback Calculated Property |
| Cp,gas | 728.02 | J/mol×K | 902.03 | Joback Calculated Property |
| Cp,gas | 739.67 | J/mol×K | 936.58 | Joback Calculated Property |
| Cp,gas | 750.44 | J/mol×K | 971.13 | Joback Calculated Property |
| Cp,gas | 760.38 | J/mol×K | 1005.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, nonyl ester.
Sources
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