- InChI
- InChI=1S/C22H35NO4/c1-6-7-8-9-10-14-26-20(24)18-12-11-13-19(23-18)21(25)27-16-17(2)15-22(3,4)5/h11-13,17H,6-10,14-16H2,1-5H3
- InChI Key
- NOKWCVAHSPVLBA-UHFFFAOYSA-N
- Formula
- C22H35NO4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OCC(C
)CC(C)(C)C)n1 - Molecular Weight1
- 377.52
- 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 | 1.0115 | Relay (... Calculated Property | |
| ΔfG° | -229.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -890.36 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 94.85 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -6.26 | Relay (... Calculated Property | |
| logPoct/wat | 5.438 | Crippen Calculated Property | |
| McVol | 321.940 | ml/mol | McGowan Calculated Property |
| Pc | 973.37 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2571.00; 2571.00] |
|
|
| Inp | 2571.00 | NIST | |
| Inp | 2571.00 | NIST | |
| Tboil | 665.46 | K | Relay (... Calculated Property |
| Tc | 856.74 | K | Relay (... Calculated Property |
| Tfus | 301.04 | K | Relay (... Calculated Property |
| Vc | 1.193 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, heptyl 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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