- InChI
- InChI=1S/C23H37NO5/c1-4-6-8-9-13-19(14-12-17-27-3)29-23(26)21-16-11-15-20(24-21)22(25)28-18-10-7-5-2/h11,15-16,19H,4-10,12-14,17-18H2,1-3H3
- InChI Key
- RDFMTODMBGLODG-UHFFFAOYSA-N
- Formula
- C23H37NO5
- SMILES
-
CCCCCCC(CCCOC)OC(=O)c1cccc(C(=
O)OCCCCC)n1 - Molecular Weight1
- 407.54
- 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 | 1.1385 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -991.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.351 | Crippen Calculated Property | |
| McVol | 341.900 | ml/mol | McGowan Calculated Property |
| Pc | 1060.21 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2769.00 | NIST | |
| Tboil | 684.07 | K | Relay (1.0) Calculated Property |
| Tc | 875.21 | K | Relay (1.0) Calculated Property |
| Tfus | 282.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.273 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 1-methoxydec-4-yl pentyl 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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