- InChI
- InChI=1S/C17H5N13O16/c31-23(32)6-1-8(25(35)36)14(9(2-6)26(37)38)19-21-16-12(29(43)44)5-13(30(45)46)17(18-16)22-20-15-10(27(39)40)3-7(24(33)34)4-11(15)28(41)42/h1-5H/b21-19+,22-20+
- InChI Key
- BBVWILOPQSPUHG-FLFKKZLDSA-N
- Formula
- C17H5N13O16
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c(N=Nc2nc(N=Nc3c([N+](=O)[O-]) cc([N+](=O)[O-])cc3[N+](=O)[O- ])c([N+](=O)[O-])cc2[N+](=O)[O -])c([N+](=O)[O-])c1 - Molecular Weight1
- 647.30
- CAS
- 55106-96-2
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 1.8000 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -8021.60 ± 0.84 | kJ/mol | NIST |
| ΔfG° | 882.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 732.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 617.10 ± 5.00 | kJ/mol | NIST |
| ΔvapH° | 154.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.178 | Crippen Calculated Property | |
| McVol | 359.770 | ml/mol | McGowan Calculated Property |
| Pc | 1959.81 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 739.55 | K | Relay (1.0) Calculated Property |
| Tc | 1404.04 | K | Relay (1.0) Calculated Property |
| Tfus | 561.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.171 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Bis(picrylazo)-3,5-dinitropyridine.
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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