- InChI
- InChI=1S/C13H10N2O3/c16-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)15(17)18/h1-9H,(H,14,16)
- InChI Key
- GMGQGZYFQSCZCW-UHFFFAOYSA-N
- Formula
- C13H10N2O3
- SMILES
-
O=C(Nc1ccc([N+](=O)[O-])cc1)c1
ccccc1 - Molecular Weight1
- 242.23
- CAS
- 3393-96-2
- Other Names
-
- N-Benzoyl-p-nitroaniline
- p'-Nitrobenzanilide
- Benzamide, N-(4-nitrophenyl)-
- Aniline, N-benzoyl-p-nitro-
- Benzamide, N-(p-nitrophenyl)-
- Benzanilide, 4'-nitro-
- N-(p-Nitrophenyl)benzamide
- N-(4-Nitrophenyl)benzamide
- p-Nitro-N-benzoylaniline
- N-(4-Nitrophenyl)benzoic acid amide
- 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 | 0.7113 | Relay (1.0) Calculated Property | |
| ΔfG° | 269.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 ± 0.10 | eV | NIST |
| log10WS | -3.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.847 | Crippen Calculated Property | |
| McVol | 175.480 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Tboil | 628.69 | K | Relay (1.0) Calculated Property |
| Tc | 974.74 | K | Relay (1.0) Calculated Property |
| Tfus | 455.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.617 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.46; 533.99] | J/mol×K | [811.06; 1078.56] | 
|
| Cp,gas | 481.46 | J/mol×K | 811.06 | Joback Calculated Property |
| Cp,gas | 492.83 | J/mol×K | 855.64 | Joback Calculated Property |
| Cp,gas | 503.02 | J/mol×K | 900.23 | Joback Calculated Property |
| Cp,gas | 512.13 | J/mol×K | 944.81 | Joback Calculated Property |
| Cp,gas | 520.26 | J/mol×K | 989.39 | Joback Calculated Property |
| Cp,gas | 527.51 | J/mol×K | 1033.98 | Joback Calculated Property |
| Cp,gas | 533.99 | J/mol×K | 1078.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-Nitrobenzanilide.
Sources
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