- InChI
- InChI=1S/C24H31NO5/c1-4-5-6-7-8-11-17-28-23(26)19-13-12-14-20(25-19)24(27)30-22-16-10-9-15-21(22)29-18(2)3/h9-10,12-16,18H,4-8,11,17H2,1-3H3
- InChI Key
- DHGWTQMZBYUKJE-UHFFFAOYSA-N
- Formula
- C24H31NO5
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
cccc2OC(C)C)n1 - Molecular Weight1
- 413.51
- 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 | 1.1278 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -795.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.605 | Crippen Calculated Property | |
| McVol | 332.230 | ml/mol | McGowan Calculated Property |
| Pc | 936.65 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2970.00 | NIST | |
| Tboil | 695.33 | K | Relay (1.0) Calculated Property |
| Tc | 938.97 | K | Relay (1.0) Calculated Property |
| Tfus | 337.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.248 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 2-isopropoxyphenyl octyl 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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