- InChI
- InChI=1S/C21H33NO4/c1-5-6-7-8-9-10-11-15-25-19(23)17-13-12-14-18(22-17)20(24)26-16-21(2,3)4/h12-14H,5-11,15-16H2,1-4H3
- InChI Key
- LOHRXFIPFBWNLJ-UHFFFAOYSA-N
- Formula
- C21H33NO4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)OCC
(C)(C)C)n1 - Molecular Weight1
- 363.49
- 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 | 1.0354 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -857.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.192 | Crippen Calculated Property | |
| McVol | 307.850 | ml/mol | McGowan Calculated Property |
| Pc | 984.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2515.00 | NIST | |
| Tboil | 657.47 | K | Relay (1.0) Calculated Property |
| Tc | 849.16 | K | Relay (1.0) Calculated Property |
| Tfus | 326.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.171 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, neopentyl nonyl 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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