- InChI
- InChI=1S/C12H10N2O2/c13-11-7-6-10(8-12(11)14(15)16)9-4-2-1-3-5-9/h1-8H,13H2
- InChI Key
- MQDYZYVWFUIEQU-UHFFFAOYSA-N
- Formula
- C12H10N2O2
- SMILES
-
Nc1ccc(-c2ccccc2)cc1[N+](=O)[O
-] - Molecular Weight1
- 214.22
- CAS
- 4085-18-1
- Other Names
-
- 3-nitrobiphenyl-4-ylamine
- 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 | 0.6419 | Relay (1.0) Calculated Property | |
| ΔfG° | 357.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 175.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.844 | Crippen Calculated Property | |
| McVol | 159.820 | ml/mol | McGowan Calculated Property |
| Pc | 3589.94 | kPa | Joback Calculated Property |
| Tboil | 646.12 | K | Relay (1.0) Calculated Property |
| Tc | 941.15 | K | Relay (1.0) Calculated Property |
| Tfus | 424.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.24; 483.76] | J/mol×K | [761.65; 1040.91] | 
|
| Cp,gas | 426.24 | J/mol×K | 761.65 | Joback Calculated Property |
| Cp,gas | 438.56 | J/mol×K | 808.19 | Joback Calculated Property |
| Cp,gas | 449.65 | J/mol×K | 854.74 | Joback Calculated Property |
| Cp,gas | 459.62 | J/mol×K | 901.28 | Joback Calculated Property |
| Cp,gas | 468.56 | J/mol×K | 947.82 | Joback Calculated Property |
| Cp,gas | 476.58 | J/mol×K | 994.36 | Joback Calculated Property |
| Cp,gas | 483.76 | J/mol×K | 1040.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-3-nitro biphenyl.
Sources
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