- InChI
- InChI=1S/C20H25NO2/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,2,5-11,16H2,1H3
- InChI Key
- JPYRZMMDOXDZMV-UHFFFAOYSA-N
- Formula
- C20H25NO2
- SMILES
-
CCC#CCCCCCCCCOC(=O)c1ccc(C#N)c
c1 - Molecular Weight1
- 311.42
- 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° | 322.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -38.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.84 | kJ/mol | Joback Calculated Property |
| log10WS | -6.47 | Crippen Calculated Property | |
| logPoct/wat | 4.859 | Crippen Calculated Property | |
| McVol | 269.120 | ml/mol | McGowan Calculated Property |
| Pc | 1433.72 | kPa | Joback Calculated Property |
| Inp | [2416.00; 2416.00] |
|
|
| Inp | 2416.00 | NIST | |
| Inp | 2416.00 | NIST | |
| Tboil | 876.03 | K | Joback Calculated Property |
| Tc | 1094.64 | K | Joback Calculated Property |
| Tfus | 597.35 | K | Joback Calculated Property |
| Vc | 1.060 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [807.28; 879.28] | J/mol×K | [876.03; 1094.64] |
|
| Cp,gas | 807.28 | J/mol×K | 876.03 | Joback Calculated Property |
| Cp,gas | 821.82 | J/mol×K | 912.46 | Joback Calculated Property |
| Cp,gas | 835.29 | J/mol×K | 948.90 | Joback Calculated Property |
| Cp,gas | 847.73 | J/mol×K | 985.33 | Joback Calculated Property |
| Cp,gas | 859.18 | J/mol×K | 1021.77 | Joback Calculated Property |
| Cp,gas | 869.69 | J/mol×K | 1058.20 | Joback Calculated Property |
| Cp,gas | 879.28 | J/mol×K | 1094.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, dodec-9-ynyl ester.
Sources
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