- InChI
- InChI=1S/C25H25NO6/c1-16(2)29-20-12-5-7-14-22(20)31-24(27)18-10-9-11-19(26-18)25(28)32-23-15-8-6-13-21(23)30-17(3)4/h5-17H,1-4H3
- InChI Key
- YDMVMUPRNYSZFF-UHFFFAOYSA-N
- Formula
- C25H25NO6
- SMILES
-
CC(C)Oc1ccccc1OC(=O)c1cccc(C(=
O)Oc2ccccc2OC(C)C)n1 - Molecular Weight1
- 435.47
- 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 | 1.0449 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -731.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.094 | Crippen Calculated Property | |
| McVol | 328.430 | ml/mol | McGowan Calculated Property |
| Pc | 1011.15 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3186.00; 3186.00] |
|
|
| Inp | 3186.00 | NIST | |
| Inp | 3186.00 | NIST | |
| Tboil | 718.87 | K | Relay (1.0) Calculated Property |
| Tc | 1018.27 | K | Relay (1.0) Calculated Property |
| Tfus | 404.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.227 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, di(2-isopropoxyphenyl) 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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