- InChI
- InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h11-12,16-19,21H,4-10,13-15,20H2,1-3H3,(H,23,24)/b12-11+,17-16+,19-18+
- InChI Key
- QHGVDYOXPZHMLH-NWAKFNDOSA-N
- Formula
- C22H39NO
- SMILES
-
CCCCCCCCC=CCCCC=CC=CC(=O)NCC(C
)C - Molecular Weight1
- 333.55
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 56.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.10 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.348 | Crippen Calculated Property | |
| McVol | 319.490 | ml/mol | McGowan Calculated Property |
| Inp | 2738.00 | NIST | |
| Tboil | 615.49 | K | Relay (1.0) Calculated Property |
| Tc | 816.53 | K | Relay (1.0) Calculated Property |
| Tfus | 330.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.97; 1089.03] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.51890e+01 | |||
| Coefficient B | 2.20796e+00 | |||
| Coefficient C | -1.45750e-03 | |||
| Coefficient D | 3.93760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 446.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 560.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 661.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 749.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 826.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 893.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 952.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1003.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1048.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1089.03 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,9-Octadecatrienoyl isobutylamide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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