- InChI
- InChI=1S/C32H55NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36-30(34)28-22-21-23-29(33-28)31(35)37-26-27(2)25-32(3,4)5/h21-23,27H,6-20,24-26H2,1-5H3
- InChI Key
- MUPDLYHSRNWBNP-UHFFFAOYSA-N
- Formula
- C32H55NO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1cccc(
C(=O)OCC(C)CC(C)(C)C)n1 - Molecular Weight1
- 517.78
- 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 | 1.3753 | Relay (... Calculated Property | |
| ΔfG° | -145.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1097.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 134.16 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -9.13 | Relay (... Calculated Property | |
| logPoct/wat | 9.339 | Crippen Calculated Property | |
| McVol | 462.840 | ml/mol | McGowan Calculated Property |
| Pc | 157.07 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3387.00 | NIST | |
| Tboil | 733.00 | K | Relay (... Calculated Property |
| Tc | 927.56 | K | Relay (... Calculated Property |
| Tfus | 321.74 | K | Relay (... Calculated Property |
| Vc | 1.740 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, heptadecyl 2,4,4-trimethylpentyl 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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