- InChI
- InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h7-8,15-16,18-19H,2-6,9-14,17,20H2,1H3/b8-7-
- InChI Key
- YLZJHGBUCVQYIZ-FPLPWBNLSA-N
- Formula
- C22H35NO2
- SMILES
-
CCCCCCC=CCCCCCCCC(=O)OCc1cccnc
1 - Molecular Weight1
- 345.52
- 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 | 0.9442 | Relay (1.0) Calculated Property | |
| ΔfG° | 57.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -472.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.382 | Crippen Calculated Property | |
| McVol | 310.200 | ml/mol | McGowan Calculated Property |
| Pc | 1223.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2668.40 | NIST | |
| Tboil | 645.85 | K | Relay (1.0) Calculated Property |
| Tc | 863.47 | K | Relay (1.0) Calculated Property |
| Tfus | 286.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.145 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis-9-Hexadecenoic 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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