- InChI
- InChI=1S/C26H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h3-4,6-7,9-10,12-13,15-16,19-20,22-23H,2,5,8,11,14,17-18,21,24H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
- InChI Key
- ZGIIDDNKYLSQBH-JLNKQSITSA-N
- Formula
- C26H35NO2
- SMILES
-
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
Cc1cccnc1 - Molecular Weight1
- 393.56
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7076 | Relay (1.0) Calculated Property | |
| ΔfG° | 299.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -320.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 132.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.046 | Crippen Calculated Property | |
| McVol | 349.360 | ml/mol | McGowan Calculated Property |
| Pc | 828.15 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3132.10; 3132.10] |
|
|
| Inp | 3132.10 | NIST | |
| Inp | 3132.10 | NIST | |
| Tboil | 674.03 | K | Relay (1.0) Calculated Property |
| Tc | 897.58 | K | Relay (1.0) Calculated Property |
| Tfus | 313.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.144 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis-5,8,11,14,17-Eicosapentaenoic acid, picolinyl ester.
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
- McGowan Method
- NIST Webbook
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