- InChI
- InChI=1S/C26H43NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-22-31-26(29)24-20-18-19-23(27-24)25(28)30-21-6-4-2/h18-20H,3-17,21-22H2,1-2H3
- InChI Key
- LKFIYCXPSQGKST-UHFFFAOYSA-N
- Formula
- C26H43NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1cccc(C(
=O)OCCCC)n1 - Molecular Weight1
- 433.62
- 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 | 1.2764 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -943.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.287 | Crippen Calculated Property | |
| McVol | 378.300 | ml/mol | McGowan Calculated Property |
| Pc | 856.42 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3104.00 | NIST | |
| Tboil | 691.70 | K | Relay (1.0) Calculated Property |
| Tc | 889.01 | K | Relay (1.0) Calculated Property |
| Tfus | 316.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.453 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, butyl pentadecyl 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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