- InChI
- InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
- InChI Key
- FYRPEHRWMVMHQM-UHFFFAOYSA-N
- Formula
- C12H9NO2
- SMILES
-
O=[N+]([O-])c1cccc(-c2ccccc2)c
1 - Molecular Weight1
- 199.21
- CAS
- 2113-58-8
- Other Names
-
- Biphenyl, 3-nitro-
- m-Nitrobiphenyl
- 3-Nitrobiphenyl
- m-Nitrodiphenyl
- 3-Nitro-1,1'-biphenyl
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.5353 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6073.50 ± 6.30 | kJ/mol | NIST |
| EA | 1.12 ± 0.10 | eV | NIST |
| ΔfG° | 300.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 177.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.16 | 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 | [307.70; 1831.00] |
|
|
| Inp | 1792.00 | NIST | |
| Inp | 1831.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1802.00 | NIST | |
| Inp | 1813.00 | NIST | |
| Inp | 308.47 | NIST | |
| Inp | 307.90 | NIST | |
| Inp | 308.30 | NIST | |
| Inp | 308.70 | NIST | |
| Inp | 308.75 | NIST | |
| Inp | 310.09 | NIST | |
| Inp | 307.70 | NIST | |
| Inp | 1792.00 | NIST | |
| Tboil | 606.95 | K | Relay (1.0) Calculated Property |
| Tc | 886.35 | K | Relay (1.0) Calculated Property |
| Tfus | 357.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | 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 | [416.20; 432.00] | K | [0.10; 1.00] |
|
| Tboilr | 432.00 ± 3.00 | K | 0.10 | NIST |
| Tboilr | 416.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3-nitro-.
Sources
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