- InChI
- InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(22)19-14-12-18(17-21)13-15-19/h12-15H,2-11,16H2,1H3
- InChI Key
- HBZNFSKEIJSFOA-UHFFFAOYSA-N
- Formula
- C20H29NO2
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccc(C#N)cc
1 - Molecular Weight1
- 315.45
- 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° | 119.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.69 | kJ/mol | Joback Calculated Property |
| log10WS | -6.67 | Crippen Calculated Property | |
| logPoct/wat | 5.636 | Crippen Calculated Property | |
| McVol | 277.720 | ml/mol | McGowan Calculated Property |
| Pc | 1274.60 | kPa | Joback Calculated Property |
| Inp | [2433.00; 2433.00] |
|
|
| Inp | 2433.00 | NIST | |
| Inp | 2433.00 | NIST | |
| Tboil | 867.03 | K | Joback Calculated Property |
| Tc | 1073.27 | K | Joback Calculated Property |
| Tfus | 491.25 | K | Joback Calculated Property |
| Vc | 1.097 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.27; 936.83] | J/mol×K | [867.03; 1073.27] |
|
| Cp,gas | 860.27 | J/mol×K | 867.03 | Joback Calculated Property |
| Cp,gas | 875.52 | J/mol×K | 901.40 | Joback Calculated Property |
| Cp,gas | 889.72 | J/mol×K | 935.78 | Joback Calculated Property |
| Cp,gas | 902.91 | J/mol×K | 970.15 | Joback Calculated Property |
| Cp,gas | 915.14 | J/mol×K | 1004.52 | Joback Calculated Property |
| Cp,gas | 926.43 | J/mol×K | 1038.90 | Joback Calculated Property |
| Cp,gas | 936.83 | J/mol×K | 1073.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, dodecyl ester.
Sources
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