- InChI
- InChI=1S/C17H17NO5/c1-3-22-16(19)14-5-4-6-15(18-14)17(20)23-11-12-7-9-13(21-2)10-8-12/h4-10H,3,11H2,1-2H3
- InChI Key
- XEWXCXWUVOCANO-UHFFFAOYSA-N
- Formula
- C17H17NO5
- SMILES
-
CCOC(=O)c1cccc(C(=O)OCc2ccc(OC
)cc2)n1 - Molecular Weight1
- 315.32
- 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 | 0.8605 | Relay (1.0) Calculated Property | |
| ΔfG° | -273.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -629.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.624 | Crippen Calculated Property | |
| McVol | 233.600 | ml/mol | McGowan Calculated Property |
| Pc | 1772.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2601.00 | NIST | |
| Tboil | 665.50 | K | Relay (1.0) Calculated Property |
| Tc | 900.26 | K | Relay (1.0) Calculated Property |
| Tfus | 331.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.873 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, ethyl 4-methoxybenzyl 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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