- InChI
- InChI=1S/C23H37NO4/c1-4-6-8-10-11-13-18-27-22(25)20-16-14-17-21(24-20)23(26)28-19(3)15-12-9-7-5-2/h14,16-17,19H,4-13,15,18H2,1-3H3
- InChI Key
- BFLORCCZUOGEKM-UHFFFAOYSA-N
- Formula
- C23H37NO4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OC(C
)CCCCCC)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 | 1.1215 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -893.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.115 | Crippen Calculated Property | |
| McVol | 336.030 | ml/mol | McGowan Calculated Property |
| Pc | 1002.77 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2718.00 | NIST | |
| Tboil | 662.52 | K | Relay (1.0) Calculated Property |
| Tc | 863.93 | K | Relay (1.0) Calculated Property |
| Tfus | 300.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.276 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, octyl 2-octyl 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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