- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8537 | Relay (1.0) Calculated Property | |
| ΔfG° | 333.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.348 | Crippen Calculated Property | |
| McVol | 319.490 | ml/mol | McGowan Calculated Property |
| Pc | 1047.33 | kPa | Joback Calculated Property |
| Inp | 2738.00 | NIST | |
| Tboil | 615.49 | K | Relay (1.0) Calculated Property |
| Tc | 813.32 | K | Relay (1.0) Calculated Property |
| Tfus | 338.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.128 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [991.71; 1093.14] | J/mol×K | [818.84; 1008.72] | 
|
| Cp,gas | 991.71 | J/mol×K | 818.84 | Joback Calculated Property |
| Cp,gas | 1010.63 | J/mol×K | 850.49 | Joback Calculated Property |
| Cp,gas | 1028.65 | J/mol×K | 882.13 | Joback Calculated Property |
| Cp,gas | 1045.84 | J/mol×K | 913.78 | Joback Calculated Property |
| Cp,gas | 1062.26 | J/mol×K | 945.42 | Joback Calculated Property |
| Cp,gas | 1078.01 | J/mol×K | 977.07 | Joback Calculated Property |
| Cp,gas | 1093.14 | J/mol×K | 1008.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,9-Octadecatrienoyl isobutylamide.
Sources
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