- InChI
- InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-8-9-12-17(19)20-15-16-11-10-13-18-14-16/h1,10-11,13-14H,3-9,12,15H2
- InChI Key
- LLCCNDJNRFGKPE-UHFFFAOYSA-N
- Formula
- C17H23NO2
- SMILES
- C#CCCCCCCCCC(=O)OCc1cccnc1
- Molecular Weight1
- 273.37
- 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 | 0.7633 | Relay (... Calculated Property | |
| ΔfG° | 140.41 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -164.05 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.35 | kJ/mol | Relay (... Calculated Property |
| IE | 9.04 | eV | Relay (... Calculated Property |
| log10WS | -4.10 | Relay (... Calculated Property | |
| logPoct/wat | 3.879 | Crippen Calculated Property | |
| McVol | 235.450 | ml/mol | McGowan Calculated Property |
| Pc | 1863.99 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2188.20; 2188.20] |
|
|
| Inp | 2188.20 | NIST | |
| Inp | 2188.20 | NIST | |
| Tboil | 621.80 | K | Relay (... Calculated Property |
| Tc | 846.18 | K | Relay (... Calculated Property |
| Tfus | 305.09 | K | Relay (... Calculated Property |
| Vc | 0.850 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 10-Undecynoic 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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