- InChI
- InChI=1S/C21H33NO4/c1-5-7-8-9-10-15-25-20(23)17-13-11-14-18(22-17)21(24)26-19(12-6-2)16(3)4/h11,13-14,16,19H,5-10,12,15H2,1-4H3
- InChI Key
- VAJSYITWTBHKDK-UHFFFAOYSA-N
- Formula
- C21H33NO4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OC(CC
C)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 | 1.0064 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -843.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.190 | Crippen Calculated Property | |
| McVol | 307.850 | ml/mol | McGowan Calculated Property |
| Pc | 1173.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2457.00 | NIST | |
| Tboil | 653.33 | K | Relay (1.0) Calculated Property |
| Tc | 848.16 | K | Relay (1.0) Calculated Property |
| Tfus | 284.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.141 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, heptyl 2-methylhex-3-yl 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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