- InChI
- InChI=1S/C23H21NO4/c25-22(27-16-14-18-8-3-1-4-9-18)20-12-7-13-21(24-20)23(26)28-17-15-19-10-5-2-6-11-19/h1-13H,14-17H2
- InChI Key
- RRGBJJFILZVCBH-UHFFFAOYSA-N
- Formula
- C23H21NO4
- SMILES
-
O=C(OCCc1ccccc1)c1cccc(C(=O)OC
Cc2ccccc2)n1 - Molecular Weight1
- 375.42
- 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 | 0.9264 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -372.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.881 | Crippen Calculated Property | |
| McVol | 288.510 | ml/mol | McGowan Calculated Property |
| Pc | 1687.02 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3095.00; 3095.00] |
|
|
| Inp | 3095.00 | NIST | |
| Inp | 3095.00 | NIST | |
| Tboil | 724.96 | K | Relay (1.0) Calculated Property |
| Tc | 1009.56 | K | Relay (1.0) Calculated Property |
| Tfus | 343.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.069 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, diphenethyl 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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