- InChI
- InChI=1S/C31H53NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-29(33)27-21-20-22-28(32-27)30(34)36-25-26(2)24-31(3,4)5/h20-22,26H,6-19,23-25H2,1-5H3
- InChI Key
- ZAYSESOEKPYCMW-UHFFFAOYSA-N
- Formula
- C31H53NO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1cccc(C
(=O)OCC(C)CC(C)(C)C)n1 - Molecular Weight1
- 503.76
- 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 | 1.3398 | Relay (1.0) Calculated Property | |
| ΔfG° | -153.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1076.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.949 | Crippen Calculated Property | |
| McVol | 448.750 | ml/mol | McGowan Calculated Property |
| Pc | 233.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3303.00; 3303.00] |
|
|
| Inp | 3303.00 | NIST | |
| Inp | 3303.00 | NIST | |
| Tboil | 726.45 | K | Relay (1.0) Calculated Property |
| Tc | 921.34 | K | Relay (1.0) Calculated Property |
| Tfus | 320.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.685 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, hexadecyl 2,4,4-trimethylpentyl 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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