- InChI
- InChI=1S/C23H27ClFNO4/c1-2-3-4-5-6-7-8-9-16-29-22(27)19-14-11-15-20(26-19)23(28)30-21-17(24)12-10-13-18(21)25/h10-15H,2-9,16H2,1H3
- InChI Key
- LYANPBATKXPFDL-UHFFFAOYSA-N
- Formula
- C23H27ClFNO4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)Oc
2c(F)cccc2Cl)n1 - Molecular Weight1
- 435.92
- 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 | 1.1285 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -825.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.391 | Crippen Calculated Property | |
| McVol | 326.280 | ml/mol | McGowan Calculated Property |
| Pc | 1235.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3054.00; 3054.00] |
|
|
| Inp | 3054.00 | NIST | |
| Inp | 3054.00 | NIST | |
| Tboil | 681.55 | K | Relay (1.0) Calculated Property |
| Tc | 946.97 | K | Relay (1.0) Calculated Property |
| Tfus | 337.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.216 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 2-chloro-6-fluorophenyl decyl 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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