- InChI
- InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-6-12-7-9(8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
- InChI Key
- SIOSRDUNOOIMCE-UHFFFAOYSA-N
- Formula
- C11H13NO4
- SMILES
- CCOC(=O)c1ccncc1C(=O)OCC
- Molecular Weight1
- 223.23
- CAS
- 1678-52-0
- Other Names
-
- Cinchomeronic ester
- Diethyl 3,4-pyridinedicarboxylate
- Pyridine-3,4-dicarboxylic acid diethyl 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.
- 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 | 0.6928 | Relay (1.0) Calculated Property | |
| ΔfG° | -329.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -624.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.435 | Crippen Calculated Property | |
| McVol | 166.950 | ml/mol | McGowan Calculated Property |
| Pc | 2292.66 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1642.00; 1642.00] |
|
|
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Tboil | 579.79 | K | Relay (1.0) Calculated Property |
| Tc | 786.58 | K | Relay (1.0) Calculated Property |
| Tfus | 299.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl pyridine-3,4-dicarboxylate.
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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