- InChI
- InChI=1S/C19H9Cl2F2NO4/c20-10-4-1-6-12(22)16(10)27-18(25)14-8-3-9-15(24-14)19(26)28-17-11(21)5-2-7-13(17)23/h1-9H
- InChI Key
- KSZMKMXQNPTBHM-UHFFFAOYSA-N
- Formula
- C19H9Cl2F2NO4
- SMILES
-
O=C(Oc1c(F)cccc1Cl)c1cccc(C(=O
)Oc2c(F)cccc2Cl)n1 - Molecular Weight1
- 424.18
- 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 | 0.8895 | Relay (1.0) Calculated Property | |
| ΔfG° | -459.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -662.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.105 | Crippen Calculated Property | |
| McVol | 260.170 | ml/mol | McGowan Calculated Property |
| Pc | 2055.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3010.00 | NIST | |
| Tboil | 666.31 | K | Relay (1.0) Calculated Property |
| Tc | 1020.62 | K | Relay (1.0) Calculated Property |
| Tfus | 414.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, di(2-chloro-6-fluorophenyl) 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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