- InChI
- InChI=1S/C15H12ClNO4/c1-2-20-14(18)11-7-5-8-12(17-11)15(19)21-13-9-4-3-6-10(13)16/h3-9H,2H2,1H3
- InChI Key
- FGKISQOJJDYMCS-UHFFFAOYSA-N
- Formula
- C15H12ClNO4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2ccccc2C
l)n1 - Molecular Weight1
- 305.71
- 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 | 0.7658 | Relay (1.0) Calculated Property | |
| ΔfG° | -227.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -510.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.131 | Crippen Calculated Property | |
| McVol | 211.790 | ml/mol | McGowan Calculated Property |
| Pc | 2172.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2376.00 | NIST | |
| Tboil | 634.54 | K | Relay (1.0) Calculated Property |
| Tc | 901.91 | K | Relay (1.0) Calculated Property |
| Tfus | 350.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.781 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 2-chlorophenyl ethyl 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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