- 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-Pyridinecarboxylic acid, ethyl ester
- Nicotinic acid, ethyl ester
- «beta»-Pyridinecarboxylic acid ethyl ester
- Ba 2673
- Ethyl 3-pyridinecarboxylate
- Ignicut
- Ignocut
- Mucotherm
- Nicaethan
- Nikethan
- Nikithan
- 3-(Ethoxycarbonyl)pyridine
- 3-Carbethoxypyridine
- NSC 8872
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.90 | Crippen Calculated Property | |
| logPoct/wat | 1.258 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan 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 | 1191.00 | NIST | |
| Inp | 1218.00 | NIST | |
| I | [1771.00; 1782.00] |
|
|
| I | 1782.00 | NIST | |
| I | 1771.00 | NIST | |
| Tboil | 497.20 | K | NIST |
Similar Compounds
Find more compounds similar to Ethyl nicotinate.
Sources
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