- InChI
- InChI=1S/C20H21Cl2NO4/c1-2-3-4-5-9-26-19(24)17-7-6-8-18(23-17)20(25)27-13-14-10-15(21)12-16(22)11-14/h6-8,10-12H,2-5,9,13H2,1H3
- InChI Key
- NZTGFIHPUCXMNU-UHFFFAOYSA-N
- Formula
- C20H21Cl2NO4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCc2cc
(Cl)cc(Cl)c2)n1 - Molecular Weight1
- 410.29
- 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 | 0.9987 | Relay (1.0) Calculated Property | |
| ΔfG° | -232.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -630.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.482 | Crippen Calculated Property | |
| McVol | 294.480 | ml/mol | McGowan Calculated Property |
| Pc | 1468.70 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2999.00 | NIST | |
| Tboil | 683.22 | K | Relay (1.0) Calculated Property |
| Tc | 943.96 | K | Relay (1.0) Calculated Property |
| Tfus | 310.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.079 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 3,5-dichlorobenzyl hexyl 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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