- InChI
- InChI=1S/C19H25NO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)18-13-11-17(16-20)12-14-18/h9-14H,2-8,15H2,1H3/b10-9+
- InChI Key
- BTNFTBZJFUVRKM-MDZDMXLPSA-N
- Formula
- C19H25NO2
- SMILES
-
CCCCCCCCC=CCOC(=O)c1ccc(C#N)cc
1 - Molecular Weight1
- 299.41
- 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° | 191.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.42 | kJ/mol | Joback Calculated Property |
| log10WS | -6.11 | Crippen Calculated Property | |
| logPoct/wat | 5.022 | Crippen Calculated Property | |
| McVol | 259.330 | ml/mol | McGowan Calculated Property |
| Pc | 1420.78 | kPa | Joback Calculated Property |
| Inp | [2310.00; 2310.00] |
|
|
| Inp | 2310.00 | NIST | |
| Inp | 2310.00 | NIST | |
| Tboil | 848.31 | K | Joback Calculated Property |
| Tc | 1059.02 | K | Joback Calculated Property |
| Tfus | 474.90 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [775.14; 849.12] | J/mol×K | [848.31; 1059.02] |
|
| Cp,gas | 775.14 | J/mol×K | 848.31 | Joback Calculated Property |
| Cp,gas | 789.68 | J/mol×K | 883.43 | Joback Calculated Property |
| Cp,gas | 803.27 | J/mol×K | 918.55 | Joback Calculated Property |
| Cp,gas | 815.96 | J/mol×K | 953.67 | Joback Calculated Property |
| Cp,gas | 827.80 | J/mol×K | 988.79 | Joback Calculated Property |
| Cp,gas | 838.83 | J/mol×K | 1023.90 | Joback Calculated Property |
| Cp,gas | 849.12 | J/mol×K | 1059.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, undec-2-enyl ester.
Sources
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