- InChI
- InChI=1S/C14H19NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h6-7H2,1-5H3
- InChI Key
- IJHKOUDBKFONBB-UHFFFAOYSA-N
- Formula
- C14H19NO4
- SMILES
-
CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)
c1C - Molecular Weight1
- 265.31
- CAS
- 1150-55-6
- Other Names
-
- 3,5-Diethoxycarbonyl-2,4,6-trimethylpyridine
- 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).
- 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 | 0.7680 | Relay (1.0) Calculated Property | |
| ΔfG° | -336.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -701.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.360 | Crippen Calculated Property | |
| McVol | 209.220 | ml/mol | McGowan Calculated Property |
| Pc | 1697.24 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 587.05 | K | Relay (1.0) Calculated Property |
| Tc | 808.78 | K | Relay (1.0) Calculated Property |
| Tfus | 346.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.786 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Pyridinedicarboxylic acid, 2,4,6-trimethyl-, diethyl 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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