- InChI
- InChI=1S/C13H15N3O4/c1-8(17)6-12(19)15-10-4-3-5-11(14-10)16-13(20)7-9(2)18/h3-5H,6-7H2,1-2H3,(H2,14,15,16,19,20)
- InChI Key
- DHZQCPZPEGHVNI-UHFFFAOYSA-N
- Formula
- C13H15N3O4
- SMILES
-
CC(=O)CC(=O)Nc1cccc(NC(=O)CC(C
)=O)n1 - Molecular Weight1
- 277.28
- CAS
- 63896-86-6
- 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 | 0.8259 | Relay (1.0) Calculated Property | |
| ΔfG° | -136.08 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -642.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.917 | Crippen Calculated Property | |
| McVol | 206.490 | ml/mol | McGowan Calculated Property |
| Pc | 3484.02 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Tboil | 616.12 | K | Relay (1.0) Calculated Property |
| Tc | 937.00 | K | Relay (1.0) Calculated Property |
| Tfus | 441.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Diacetoacetamidopyridine.
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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