- InChI
- InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
- InChI Key
- MUYSADWCWFFZKR-UHFFFAOYSA-N
- Formula
- C7H5NO4
- SMILES
- O=C(O)c1ccncc1C(=O)O
- Molecular Weight1
- 167.12
- CAS
- 490-11-9
- Other Names
-
- Pyridine-3,4-dicarboxylic acid
- Chinchomeronic acid
- Cinchomeronic acid
- 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).
- 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 | 0.8521 | Relay (1.0) Calculated Property | |
| ΔfG° | -380.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -579.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.478 | Crippen Calculated Property | |
| McVol | 110.590 | ml/mol | McGowan Calculated Property |
| Pc | 4885.66 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 565.69 | K | Relay (1.0) Calculated Property |
| Tc | 907.38 | K | Relay (1.0) Calculated Property |
| Tfus | 497.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Pyridinedicarboxylic acid.
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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