- InChI
- InChI=1S/C22H35NO4/c1-6-9-12-17(8-3)15-26-21(24)18-13-10-14-19(23-18)22(25)27-20(11-7-2)16(4)5/h10,13-14,16-17,20H,6-9,11-12,15H2,1-5H3
- InChI Key
- ZZDRMDAGGNKPPL-UHFFFAOYSA-N
- Formula
- C22H35NO4
- SMILES
-
CCCCC(CC)COC(=O)c1cccc(C(=O)OC
(CCC)C(C)C)n1 - Molecular Weight1
- 377.52
- 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 | 0.9820 | Relay (1.0) Calculated Property | |
| ΔfG° | -246.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -882.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.436 | Crippen Calculated Property | |
| McVol | 321.940 | ml/mol | McGowan Calculated Property |
| Pc | 1096.60 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2473.00; 2473.00] |
|
|
| Inp | 2473.00 | NIST | |
| Inp | 2473.00 | NIST | |
| Tboil | 661.60 | K | Relay (1.0) Calculated Property |
| Tc | 853.56 | K | Relay (1.0) Calculated Property |
| Tfus | 258.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 2-ethylhexyl 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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