- InChI
- InChI=1S/C21H33NO6/c1-14(10-12-25-5)16(3)27-20(23)18-8-7-9-19(22-18)21(24)28-17(4)15(2)11-13-26-6/h7-9,14-17H,10-13H2,1-6H3
- InChI Key
- CBKOKKKTSKEAOK-UHFFFAOYSA-N
- Formula
- C21H33NO6
- SMILES
-
COCCC(C)C(C)OC(=O)c1cccc(C(=O)
OC(C)C(C)CCOC)n1 - Molecular Weight1
- 395.49
- 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 | 0.9689 | Relay (1.0) Calculated Property | |
| ΔfG° | -392.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1097.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.517 | Crippen Calculated Property | |
| McVol | 319.590 | ml/mol | McGowan Calculated Property |
| Pc | 1261.14 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2606.00 | NIST | |
| Tboil | 663.73 | K | Relay (1.0) Calculated Property |
| Tc | 862.70 | K | Relay (1.0) Calculated Property |
| Tfus | 301.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.153 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, di(5-methoxy-3-methylpent-2-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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