- InChI
- InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
- InChI Key
- YOJKKXRJMXIKSR-UHFFFAOYSA-N
- Formula
- C12H9NO2
- SMILES
- O=[N+]([O-])c1ccccc1-c1ccccc1
- Molecular Weight1
- 199.21
- CAS
- 86-00-0
- Other Names
-
- Biphenyl, 2-nitro-
- o-Nitrobiphenyl
- o-Nitrodiphenyl
- Onb
- 2-Nitrobiphenyl
- 2-Nitrodiphenyl
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5233 | Relay (1.0) Calculated Property | |
| EA | 1.07 ± 0.10 | eV | NIST |
| ΔfG° | 300.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 175.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.262 | Crippen Calculated Property | |
| McVol | 149.840 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback Calculated Property |
| Inp | [284.73; 1700.00] |
|
|
| Inp | 1691.22 | NIST | |
| Inp | 1696.33 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 290.25 | NIST | |
| Inp | 288.70 | NIST | |
| Inp | 288.56 | NIST | |
| Inp | 284.73 | NIST | |
| Inp | 288.54 | NIST | |
| Inp | 287.61 | NIST | |
| Inp | 290.25 | NIST | |
| Inp | 285.80 | NIST | |
| Inp | 285.80 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Tboil | 593.20 | K | NIST |
| Tc | 883.08 | K | Relay (1.0) Calculated Property |
| Tfus | 329.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.70; 438.07] | J/mol×K | [684.14; 959.45] |
|
| Cp,gas | 373.70 | J/mol×K | 684.14 | Joback Calculated Property |
| Cp,gas | 387.39 | J/mol×K | 730.02 | Joback Calculated Property |
| Cp,gas | 399.76 | J/mol×K | 775.91 | Joback Calculated Property |
| Cp,gas | 410.91 | J/mol×K | 821.79 | Joback Calculated Property |
| Cp,gas | 420.94 | J/mol×K | 867.68 | Joback Calculated Property |
| Cp,gas | 429.96 | J/mol×K | 913.56 | Joback Calculated Property |
| Cp,gas | 438.07 | J/mol×K | 959.45 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 440.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2-nitro-.
Sources
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