- InChI
- InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-17-27-22(25)20-14-13-15-21(24-20)23(26)28-18-16-19(2)3/h13-15,19H,4-12,16-18H2,1-3H3
- InChI Key
- BWUQYCJPBKOVMR-UHFFFAOYSA-N
- Formula
- C23H37NO4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
CCC(C)C)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 | 1.1308 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -885.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.972 | Crippen Calculated Property | |
| McVol | 336.030 | ml/mol | McGowan Calculated Property |
| Pc | 992.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2808.00 | NIST | |
| Tboil | 672.20 | K | Relay (1.0) Calculated Property |
| Tc | 866.08 | K | Relay (1.0) Calculated Property |
| Tfus | 302.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.275 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 3-methylbutyl undecyl 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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