- InChI
- InChI=1S/C23H37NO4/c1-4-7-8-9-10-11-12-13-17-27-22(25)20-15-14-16-21(24-20)23(26)28-18-19(5-2)6-3/h14-16,19H,4-13,17-18H2,1-3H3
- InChI Key
- GAPQNUOYUHEPFC-UHFFFAOYSA-N
- Formula
- C23H37NO4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)OC
C(CC)CC)n1 - Molecular Weight1
- 391.54
- 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 | 1.1110 | Relay (... Calculated Property | |
| ΔfG° | -216.28 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -894.20 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.35 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -6.41 | Relay (... Calculated Property | |
| logPoct/wat | 5.972 | Crippen Calculated Property | |
| McVol | 336.030 | ml/mol | McGowan Calculated Property |
| Pc | 1084.38 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2790.00 | NIST | |
| Tboil | 675.10 | K | Relay (... Calculated Property |
| Tc | 872.69 | K | Relay (... Calculated Property |
| Tfus | 275.67 | K | Relay (... Calculated Property |
| Vc | 1.254 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, decyl 2-ethylbutyl 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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