- InChI
- InChI=1S/C8H5N7O6/c16-13(17)4-1-5(14(18)19)7(6(2-4)15(20)21)11-8-9-3-10-12-8/h1-3H,(H2,9,10,11,12)
- InChI Key
- IRXQEVVGPQRIPA-UHFFFAOYSA-N
- Formula
- C8H5N7O6
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c(Nc2nc[nH]n2)c([N+](=O)[O-])c 1 - Molecular Weight1
- 295.17
- CAS
- 18212-12-9
- 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 | 0.9091 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4014.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 507.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 292.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 151.00 ± 4.00 | kJ/mol | NIST |
| ΔvapH° | 124.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.791 | Crippen Calculated Property | |
| McVol | 172.540 | ml/mol | McGowan Calculated Property |
| Pc | 5195.28 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 632.52 | K | Relay (1.0) Calculated Property |
| Tc | 1085.58 | K | Relay (1.0) Calculated Property |
| Tfus | 516.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.591 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![[(7R)-7-Hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl hexanoate.](data:image/png;base64,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)
Find more compounds similar to 3-Picrylamino-1,2,4-triazole.
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