- InChI
- InChI=1S/C8H6N2O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H/b6-5+
- InChI Key
- INIQBBVYBCGEIX-AATRIKPKSA-N
- Formula
- C8H6N2O4
- SMILES
-
O=[N+]([O-])C=Cc1ccccc1[N+](=O
)[O-] - Molecular Weight1
- 194.14
- CAS
- 3156-39-6
- 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 | 0.5822 | Relay (... Calculated Property | |
| ΔfG° | 270.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 117.60 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.36 | kJ/mol | Relay (... Calculated Property |
| IE | 9.42 | eV | Relay (... Calculated Property |
| log10WS | -3.21 | Relay (... Calculated Property | |
| logPoct/wat | 1.842 | Crippen Calculated Property | |
| McVol | 130.360 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Tboil | 553.41 | K | Relay (... Calculated Property |
| Tc | 824.66 | K | Relay (... Calculated Property |
| Tfus | 353.33 | K | Relay (... Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.64; 372.36] | J/mol×K | [721.94; 999.91] | 
|
| Cp,gas | 325.64 | J/mol×K | 721.94 | Joback Calculated Property |
| Cp,gas | 335.45 | J/mol×K | 768.27 | Joback Calculated Property |
| Cp,gas | 344.32 | J/mol×K | 814.60 | Joback Calculated Property |
| Cp,gas | 352.34 | J/mol×K | 860.93 | Joback Calculated Property |
| Cp,gas | 359.62 | J/mol×K | 907.25 | Joback Calculated Property |
| Cp,gas | 366.26 | J/mol×K | 953.58 | Joback Calculated Property |
| Cp,gas | 372.36 | J/mol×K | 999.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,Beta-dinitrostyrene.
Sources
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