- InChI
- InChI=1S/C22H27NO5/c1-3-4-5-6-7-10-16-27-21(24)17-12-11-13-18(23-17)22(25)28-20-15-9-8-14-19(20)26-2/h8-9,11-15H,3-7,10,16H2,1-2H3
- InChI Key
- BWHLFELKXBXTRA-UHFFFAOYSA-N
- Formula
- C22H27NO5
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
cccc2OC)n1 - Molecular Weight1
- 385.45
- 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 | 1.0991 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -722.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.827 | Crippen Calculated Property | |
| McVol | 304.050 | ml/mol | McGowan Calculated Property |
| Pc | 1322.83 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2959.00; 2959.00] |
|
|
| Inp | 2959.00 | NIST | |
| Inp | 2959.00 | NIST | |
| Tboil | 695.14 | K | Relay (1.0) Calculated Property |
| Tc | 938.05 | K | Relay (1.0) Calculated Property |
| Tfus | 346.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.137 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 2-methoxyphenyl octyl 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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