- InChI
- InChI=1S/C19H29NO4/c1-6-8-17(14(4)5)24-19(22)16-10-7-9-15(20-16)18(21)23-12-11-13(2)3/h7,9-10,13-14,17H,6,8,11-12H2,1-5H3
- InChI Key
- YVGGKJUVMQXSBM-UHFFFAOYSA-N
- Formula
- C19H29NO4
- SMILES
-
CCCC(OC(=O)c1cccc(C(=O)OCCC(C)
C)n1)C(C)C - Molecular Weight1
- 335.44
- 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 | 0.8886 | Relay (1.0) Calculated Property | |
| ΔfG° | -278.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -815.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.266 | Crippen Calculated Property | |
| McVol | 279.670 | ml/mol | McGowan Calculated Property |
| Pc | 1347.36 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2236.00 | NIST | |
| Tboil | 635.17 | K | Relay (1.0) Calculated Property |
| Tc | 825.52 | K | Relay (1.0) Calculated Property |
| Tfus | 277.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.028 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 3-methylbutyl 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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