- InChI
- InChI=1S/C23H37NO4/c1-16(12-22(3,4)5)14-27-20(25)18-10-9-11-19(24-18)21(26)28-15-17(2)13-23(6,7)8/h9-11,16-17H,12-15H2,1-8H3
- InChI Key
- CJIGHZBOSRMTMZ-UHFFFAOYSA-N
- Formula
- C23H37NO4
- SMILES
-
CC(COC(=O)c1cccc(C(=O)OCC(C)CC
(C)(C)C)n1)CC(C)(C)C - Molecular Weight1
- 391.54
- 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 | 0.9452 | Relay (1.0) Calculated Property | |
| ΔfG° | -224.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -953.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.540 | Crippen Calculated Property | |
| McVol | 336.030 | ml/mol | McGowan Calculated Property |
| Pc | 950.21 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2529.00 | NIST | |
| Tboil | 665.76 | K | Relay (1.0) Calculated Property |
| Tc | 860.37 | K | Relay (1.0) Calculated Property |
| Tfus | 349.13 | 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, di(2,4,4-trimethylpentyl) 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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