- InChI
- InChI=1S/C31H53NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-35-30(33)28-23-21-24-29(32-28)31(34)36-26-27(3)22-5-2/h21,23-24,27H,4-20,22,25-26H2,1-3H3
- InChI Key
- IECALTZXBRWWJR-UHFFFAOYSA-N
- Formula
- C31H53NO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
(C(=O)OCC(C)CCC)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 | 1.4077 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1060.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.093 | Crippen Calculated Property | |
| McVol | 448.750 | ml/mol | McGowan Calculated Property |
| Pc | 417.16 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3401.00; 3401.00] |
|
|
| Inp | 3401.00 | NIST | |
| Inp | 3401.00 | NIST | |
| Tboil | 725.25 | K | Relay (1.0) Calculated Property |
| Tc | 920.47 | K | Relay (1.0) Calculated Property |
| Tfus | 306.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.699 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 2-methylpentyl octadecyl 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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