- InChI
- InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-13-18(20)21-16-17-12-11-14-19-15-17/h7-8,11-12,14-15H,2-6,9-10,13,16H2,1H3/b8-7-
- InChI Key
- SSWZBPBSEOOPCH-FPLPWBNLSA-N
- Formula
- C18H27NO2
- SMILES
- CCCCCCC=CCCCC(=O)OCc1cccnc1
- Molecular Weight1
- 289.41
- 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 | 0.7897 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -386.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.822 | Crippen Calculated Property | |
| McVol | 253.840 | ml/mol | McGowan Calculated Property |
| Pc | 1597.43 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2249.00; 2252.30] |
|
|
| Inp | 2249.00 | NIST | |
| Inp | 2252.30 | NIST | |
| Inp | 2249.00 | NIST | |
| Tboil | 616.61 | K | Relay (1.0) Calculated Property |
| Tc | 831.49 | K | Relay (1.0) Calculated Property |
| Tfus | 271.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.927 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis-5-Dodecenoic 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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