- InChI
- InChI=1S/C18H17Cl2NO4/c1-11(2)9-24-17(22)15-4-3-5-16(21-15)18(23)25-10-12-6-13(19)8-14(20)7-12/h3-8,11H,9-10H2,1-2H3
- InChI Key
- TYZIMJITEYXHFD-UHFFFAOYSA-N
- Formula
- C18H17Cl2NO4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OCc2cc
(Cl)cc(Cl)c2)n1 - Molecular Weight1
- 382.24
- 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 | 0.8772 | Relay (1.0) Calculated Property | |
| ΔfG° | -259.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -599.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.558 | Crippen Calculated Property | |
| McVol | 266.300 | ml/mol | McGowan Calculated Property |
| Pc | 1573.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2776.00 | NIST | |
| Tboil | 668.18 | K | Relay (1.0) Calculated Property |
| Tc | 927.93 | K | Relay (1.0) Calculated Property |
| Tfus | 333.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.968 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 3,5-dichlorobenzyl isobutyl 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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