- InChI
- InChI=1S/C21H15Cl2NO4/c22-16-8-4-14(5-9-16)12-27-20(25)18-2-1-3-19(24-18)21(26)28-13-15-6-10-17(23)11-7-15/h1-11H,12-13H2
- InChI Key
- JTWHVQWGRBSVLL-UHFFFAOYSA-N
- Formula
- C21H15Cl2NO4
- SMILES
-
O=C(OCc1ccc(Cl)cc1)c1cccc(C(=O
)OCc2ccc(Cl)cc2)n1 - Molecular Weight1
- 416.25
- 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 | 0.9041 | Relay (... Calculated Property | |
| ΔfG° | -121.96 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -402.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 128.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.49 | eV | Relay (... Calculated Property |
| log10WS | -5.99 | Relay (... Calculated Property | |
| logPoct/wat | 5.102 | Crippen Calculated Property | |
| McVol | 284.810 | ml/mol | McGowan Calculated Property |
| Pc | 1768.55 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3300.00 | NIST | |
| Tboil | 723.86 | K | Relay (... Calculated Property |
| Tc | 1031.65 | K | Relay (... Calculated Property |
| Tfus | 369.75 | K | Relay (... Calculated Property |
| Vc | 1.029 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, di(4-chlorobenzyl) 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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