- InChI
- InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-26(29)24-19-18-20-25(28-24)27(30)32-22-23(2)3/h18-20,23H,4-17,21-22H2,1-3H3
- InChI Key
- DFFNEYZLAGOXBF-UHFFFAOYSA-N
- Formula
- C27H45NO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1cccc(C
(=O)OCC(C)C)n1 - Molecular Weight1
- 447.65
- 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 | 1.2811 | Relay (1.0) Calculated Property | |
| ΔfG° | -188.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -978.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.533 | Crippen Calculated Property | |
| McVol | 392.390 | ml/mol | McGowan Calculated Property |
| Pc | 603.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3133.00; 3133.00] |
|
|
| Inp | 3133.00 | NIST | |
| Inp | 3133.00 | NIST | |
| Tboil | 699.89 | K | Relay (1.0) Calculated Property |
| Tc | 893.04 | K | Relay (1.0) Calculated Property |
| Tfus | 320.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.498 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, hexadecyl isobutyl 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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