- InChI
- InChI=1S/C26H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-26(2,3)24-28-25/h8-9,11-12H,4-7,10,13-24H2,1-3H3/b9-8-,12-11-
- InChI Key
- YGUQQCLTZSTBIH-MURFETPASA-N
- Formula
- C26H47NO
- SMILES
-
CCCCCC=CCC=CCCCCCCCCCCCC1=NC(C
)(C)CO1 - Molecular Weight1
- 389.66
- 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 | 0.9021 | Relay (... Calculated Property | |
| ΔfG° | 410.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.34 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 65.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.32 | eV | Relay (... Calculated Property |
| log10WS | -7.47 | Relay (... Calculated Property | |
| logPoct/wat | 8.568 | Crippen Calculated Property | |
| McVol | 369.290 | ml/mol | McGowan Calculated Property |
| Pc | 879.48 | kPa | Joback Calculated Property |
| Inp | 2707.00 | NIST | |
| Tboil | 641.39 | K | Relay (... Calculated Property |
| Tc | 851.38 | K | Relay (... Calculated Property |
| Tfus | 290.69 | K | Relay (... Calculated Property |
| Vc | 1.364 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1262.72; 1401.76] | J/mol×K | [902.91; 1107.52] | 
|
| Cp,gas | 1262.72 | J/mol×K | 902.91 | Joback Calculated Property |
| Cp,gas | 1286.84 | J/mol×K | 937.01 | Joback Calculated Property |
| Cp,gas | 1310.38 | J/mol×K | 971.11 | Joback Calculated Property |
| Cp,gas | 1333.49 | J/mol×K | 1005.22 | Joback Calculated Property |
| Cp,gas | 1356.32 | J/mol×K | 1039.32 | Joback Calculated Property |
| Cp,gas | 1379.03 | J/mol×K | 1073.42 | Joback Calculated Property |
| Cp,gas | 1401.76 | J/mol×K | 1107.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-13,16-Docasadienoic acid, 4,4-dimethyloxazoline (dmox) derivative.
Sources
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