- InChI
- InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-10-5-7(6)9(12)14-2/h3-5H,1-2H3
- InChI Key
- AUQUSBAFIHOGHK-UHFFFAOYSA-N
- Formula
- C9H9NO4
- SMILES
- COC(=O)c1ccncc1C(=O)OC
- Molecular Weight1
- 195.17
- CAS
- 1796-83-4
- Other Names
-
- Cinchomeronic acid, dimethyl ester
- Dimethyl 3,4-pyridinedicarboxylate
- Dimethyl pyridine-3,4-dicarboxylate
- 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 | 0.6253 | Relay (1.0) Calculated Property | |
| ΔfG° | -297.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -548.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.655 | Crippen Calculated Property | |
| McVol | 138.770 | ml/mol | McGowan Calculated Property |
| Pc | 2999.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1502.00 | NIST | |
| Tboil | 556.36 | K | Relay (1.0) Calculated Property |
| Tc | 777.74 | K | Relay (1.0) Calculated Property |
| Tfus | 347.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Pyridinedicarboxylic acid, dimethyl 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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