- InChI
- InChI=1S/C12H8N2O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H
- InChI Key
- QAFJHDNFUMKVIE-UHFFFAOYSA-N
- Formula
- C12H8N2O4
- SMILES
-
O=[N+]([O-])c1ccccc1-c1ccccc1[
N+](=O)[O-] - Molecular Weight1
- 244.20
- CAS
- 2436-96-6
- Other Names
-
- Biphenyl, 2,2'-dinitro-
- 2,2'-Dinitrobiphenyl
- 2,2'-Dinitrobiphenyl, 2,2'-dinitro-
- 2,2'-Dinitrodiphenyl
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6718 | Relay (1.0) Calculated Property | |
| ΔfG° | 326.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 168.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.170 | Crippen Calculated Property | |
| McVol | 167.260 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Inp | [345.99; 349.40] |
|
|
| Inp | 346.71 | NIST | |
| Inp | 345.99 | NIST | |
| Inp | 349.40 | NIST | |
| Inp | 346.71 | NIST | |
| Inp | 349.40 | NIST | |
| Tboil | 607.89 | K | Relay (1.0) Calculated Property |
| Tc | 934.20 | K | Relay (1.0) Calculated Property |
| Tfus | 384.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.48; 505.17] | J/mol×K | [840.96; 1132.36] |
|
| Cp,gas | 457.48 | J/mol×K | 840.96 | Joback Calculated Property |
| Cp,gas | 468.03 | J/mol×K | 889.53 | Joback Calculated Property |
| Cp,gas | 477.38 | J/mol×K | 938.09 | Joback Calculated Property |
| Cp,gas | 485.65 | J/mol×K | 986.66 | Joback Calculated Property |
| Cp,gas | 492.96 | J/mol×K | 1035.23 | Joback Calculated Property |
| Cp,gas | 499.43 | J/mol×K | 1083.80 | Joback Calculated Property |
| Cp,gas | 505.17 | J/mol×K | 1132.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2,2'-dinitro-.
Sources
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