- InChI
- InChI=1S/C22H27NO5/c1-4-5-6-9-15-26-21(24)17-11-10-12-18(23-17)22(25)28-20-14-8-7-13-19(20)27-16(2)3/h7-8,10-14,16H,4-6,9,15H2,1-3H3
- InChI Key
- MXWKOSJPINXSHB-UHFFFAOYSA-N
- Formula
- C22H27NO5
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
cc2OC(C)C)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 | 1.0459 | Relay (1.0) Calculated Property | |
| ΔfG° | -272.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -754.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.825 | Crippen Calculated Property | |
| McVol | 304.050 | ml/mol | McGowan Calculated Property |
| Pc | 1128.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2793.00 | NIST | |
| Tboil | 680.91 | K | Relay (1.0) Calculated Property |
| Tc | 925.96 | K | Relay (1.0) Calculated Property |
| Tfus | 335.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.140 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, hexyl 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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