- InChI
- InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
- InChI Key
- XBLVHTDFJBKJLG-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- CCOC(=O)c1cccnc1
- Molecular Weight1
- 151.16
- CAS
- 614-18-6
- Other Names
-
- 3-(Ethoxycarbonyl)pyridine
- 3-Carbethoxypyridine
- 3-Pyridinecarboxylic acid, ethyl ester
- Ba 2673
- Ethyl 3-pyridinecarboxylate
- Ignicut
- Ignocut
- Mucotherm
- NSC 8872
- Nicaethan
- Nicotinic acid, ethyl ester
- Nikethan
- Nikithan
- «beta»-Pyridinecarboxylic acid ethyl ester
- 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.
- Ip : 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 | 0.4919 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -255.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.258 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3186.41 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1183.00; 1224.00] |
|
|
| Inp | 1218.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Ip | [1771.00; 1782.00] |
|
|
| Ip | 1782.00 | NIST | |
| Ip | 1771.00 | NIST | |
| Tboil | 497.20 | K | NIST |
| Tc | 720.65 | K | Relay (1.0) Calculated Property |
| Tfus | 281.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl nicotinate.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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