- InChI
- InChI=1S/C21H17NO6/c1-25-16-10-3-5-12-18(16)27-20(23)14-8-7-9-15(22-14)21(24)28-19-13-6-4-11-17(19)26-2/h3-13H,1-2H3
- InChI Key
- UADMVHIJMDNHEN-UHFFFAOYSA-N
- Formula
- C21H17NO6
- SMILES
-
COc1ccccc1OC(=O)c1cccc(C(=O)Oc
2ccccc2OC)n1 - Molecular Weight1
- 379.36
- 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 | 0.9779 | Relay (1.0) Calculated Property | |
| ΔfG° | -274.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -588.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.537 | Crippen Calculated Property | |
| McVol | 272.070 | ml/mol | McGowan Calculated Property |
| Pc | 1863.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3110.00; 3110.00] |
|
|
| Inp | 3110.00 | NIST | |
| Inp | 3110.00 | NIST | |
| Tboil | 714.61 | K | Relay (1.0) Calculated Property |
| Tc | 1020.78 | K | Relay (1.0) Calculated Property |
| Tfus | 433.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.009 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, di(2-methoxyphenyl) 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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