- InChI
- InChI=1S/C28H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(30)31-26-27-22-21-24-29-25-27/h6-7,9-10,21-22,24-25H,2-5,8,11-20,23,26H2,1H3/b7-6-,10-9-
- InChI Key
- TYHOZHCQWYUKMK-HZJYTTRNSA-N
- Formula
- C28H45NO2
- SMILES
-
CCCCCC=CCC=CCCCCCCCCCCCC(=O)OC
c1cccnc1 - Molecular Weight1
- 427.66
- 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 | 1.0739 | Relay (1.0) Calculated Property | |
| ΔfG° | 156.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -538.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.499 | Crippen Calculated Property | |
| McVol | 390.440 | ml/mol | McGowan Calculated Property |
| Pc | 673.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3261.80; 3261.80] |
|
|
| Inp | 3261.80 | NIST | |
| Inp | 3261.80 | NIST | |
| Tboil | 686.25 | K | Relay (1.0) Calculated Property |
| Tc | 906.56 | K | Relay (1.0) Calculated Property |
| Tfus | 302.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.415 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis-13,16-Docasadienoic 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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