- InChI
- InChI=1S/C26H43NO5/c1-4-6-8-10-11-13-21-31-25(28)23-18-14-19-24(27-23)26(29)32-22(17-15-20-30-3)16-12-9-7-5-2/h14,18-19,22H,4-13,15-17,20-21H2,1-3H3
- InChI Key
- BDTFYJJXXNZXOA-UHFFFAOYSA-N
- Formula
- C26H43NO5
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OC(C
CCCCC)CCCOC)n1 - Molecular Weight1
- 449.62
- 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 | 1.2461 | Relay (1.0) Calculated Property | |
| ΔfG° | -276.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1053.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.521 | Crippen Calculated Property | |
| McVol | 384.170 | ml/mol | McGowan Calculated Property |
| Pc | 811.56 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3016.00 | NIST | |
| Tboil | 705.24 | K | Relay (1.0) Calculated Property |
| Tc | 896.25 | K | Relay (1.0) Calculated Property |
| Tfus | 291.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.436 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 1-methoxydec-4-yl 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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