- InChI
- InChI=1S/C6H4N2O3/c9-7-5-3-1-2-4-6(5)8(10)11/h1-4H
- InChI Key
- NSGVPXKWKUZSAY-UHFFFAOYSA-N
- Formula
- C6H4N2O3
- SMILES
- O=Nc1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 152.11
- CAS
- 612-29-3
- 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).
- ΔsubH° : Enthalpy of sublimation 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 | 0.5951 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3038.70 ± 1.90 | kJ/mol | NIST |
| ΔfG° | 202.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 160.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 102.30 | kJ/mol | NIST |
| ΔsubH° | 54.00 | kJ/mol | NIST |
| ΔvapH° | 68.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.993 | Crippen Calculated Property | |
| McVol | 100.610 | ml/mol | McGowan Calculated Property |
| Pc | 4540.80 | kPa | Joback Calculated Property |
| Tboil | 525.11 | K | Relay (1.0) Calculated Property |
| Tc | 789.39 | K | Relay (1.0) Calculated Property |
| Tfus | 336.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Nitro-2-nitrosobenzene.
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
- Joback Method
- McGowan Method
- NIST Webbook
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