- InChI
- InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
- InChI Key
- MCRPKBUFXAKDKI-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- CCOC(=O)c1ccncc1
- Molecular Weight1
- 151.16
- CAS
- 1570-45-2
- Other Names
-
- Isonicotinic acid, ethyl ester
- «gamma»-Pyridinecarboxylic acid ethyl ester
- Ethyl isonicotinate
- Ethyl 4-pyridinecarboxylate
- 4-Carbethoxypyridine
- 4-Carboethoxypyridine
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4958 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -255.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 ± 0.10 | eV | NIST |
| log10WS | -1.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.258 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3182.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1201.00 | NIST | |
| I | 1755.00 | NIST | |
| Tboil | 492.70 | K | NIST |
| Tc | 709.31 | K | Relay (1.0) Calculated Property |
| Tfus | 323.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Pyridinecarboxylic acid, ethyl 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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