- InChI
- InChI=1S/C21H33NO5/c1-4-6-7-8-11-17(12-10-16-25-3)27-21(24)19-14-9-13-18(22-19)20(23)26-15-5-2/h9,13-14,17H,4-8,10-12,15-16H2,1-3H3
- InChI Key
- JVTCWGVGMZQNSU-UHFFFAOYSA-N
- Formula
- C21H33NO5
- SMILES
-
CCCCCCC(CCCOC)OC(=O)c1cccc(C(=
O)OCCC)n1 - Molecular Weight1
- 379.49
- 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 | 1.0642 | Relay (1.0) Calculated Property | |
| ΔfG° | -322.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -949.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.571 | Crippen Calculated Property | |
| McVol | 313.720 | ml/mol | McGowan Calculated Property |
| Pc | 1179.23 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2587.00 | NIST | |
| Tboil | 671.53 | K | Relay (1.0) Calculated Property |
| Tc | 858.81 | K | Relay (1.0) Calculated Property |
| Tfus | 275.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.164 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 1-methoxydec-4-yl propyl 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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