- InChI
- InChI=1S/C9H5N3O2/c10-5-8(6-11)7-1-3-9(4-2-7)12(13)14/h1-4,8H
- InChI Key
- HXEPLLFRQAVQQJ-UHFFFAOYSA-N
- Formula
- C9H5N3O2
- SMILES
-
N#CC(C#N)c1ccc([N+](=O)[O-])cc
1 - Molecular Weight1
- 187.15
- CAS
- 99726-62-2
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6303 | Relay (... Calculated Property | |
| ΔfG° | 427.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 351.38 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.83 | kJ/mol | Relay (... Calculated Property |
| IE | 10.62 | eV | Relay (... Calculated Property |
| log10WS | -3.23 | Relay (... Calculated Property | |
| logPoct/wat | 1.726 | Crippen Calculated Property | |
| McVol | 134.090 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Tboil | 557.22 | K | Relay (... Calculated Property |
| Tc | 837.67 | K | Relay (... Calculated Property |
| Tfus | 464.88 | K | Relay (... Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.93; 367.60] | J/mol×K | [792.54; 1059.17] | 
|
| Cp,gas | 332.93 | J/mol×K | 792.54 | Joback Calculated Property |
| Cp,gas | 340.41 | J/mol×K | 836.98 | Joback Calculated Property |
| Cp,gas | 347.13 | J/mol×K | 881.42 | Joback Calculated Property |
| Cp,gas | 353.16 | J/mol×K | 925.85 | Joback Calculated Property |
| Cp,gas | 358.54 | J/mol×K | 970.29 | Joback Calculated Property |
| Cp,gas | 363.34 | J/mol×K | 1014.73 | Joback Calculated Property |
| Cp,gas | 367.60 | J/mol×K | 1059.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C9H5N3O2.
Sources
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