- InChI
- InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
- InChI Key
- ZESWUEBPRPGMTP-UHFFFAOYSA-N
- Formula
- C7H6N2O3
- SMILES
- NC(=O)c1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 166.13
- CAS
- 619-80-7
- Other Names
-
- 4-Nitrobenzamide
- Benzamide, p-nitro-
- p-Nitrobenzamide
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| PAff | 845.30 | kJ/mol | NIST |
| BasG | 814.40 | kJ/mol | NIST |
| ΔfG° | 83.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.09 | kJ/mol | Gas pha... |
| ΔvapH° | 68.09 | kJ/mol | Joback Calculated Property |
| IE | 10.33 | eV | NIST |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 0.694 | Crippen Calculated Property | |
| McVol | 114.700 | ml/mol | McGowan Calculated Property |
| Pc | 4809.16 | kPa | Joback Calculated Property |
| Tboil | 669.46 | K | Joback Calculated Property |
| Tc | 933.02 | K | Joback Calculated Property |
| Tfus | 484.39 | K | Joback Calculated Property |
| Ttriple | 473.45 | K | Solubil... |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.75; 322.86] | J/mol×K | [669.46; 933.02] | 
|
| Cp,gas | 278.75 | J/mol×K | 669.46 | Joback Calculated Property |
| Cp,gas | 288.09 | J/mol×K | 713.39 | Joback Calculated Property |
| Cp,gas | 296.56 | J/mol×K | 757.31 | Joback Calculated Property |
| Cp,gas | 304.23 | J/mol×K | 801.24 | Joback Calculated Property |
| Cp,gas | 311.14 | J/mol×K | 845.17 | Joback Calculated Property |
| Cp,gas | 317.33 | J/mol×K | 889.09 | Joback Calculated Property |
| Cp,gas | 322.86 | J/mol×K | 933.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-.
Mixtures
- Ethanol + Benzamide, 4-nitro-
- 1-Propanol + Benzamide, 4-nitro-
- Isopropyl Alcohol + Benzamide, 4-nitro-
- 1-Butanol + Benzamide, 4-nitro-
- Benzamide, 4-nitro- + 1-Propanol, 2-methyl-
- Benzamide, 4-nitro- + Water
- Benzamide, 4-nitro- + Ethyl Acetate
- Acetonitrile + Benzamide, 4-nitro-
- Benzamide, 4-nitro- + Dimethyl Sulfoxide
- Formamide, N,N-dimethyl- + Benzamide, 4-nitro-
- 2-Pyrrolidinone, 1-methyl- + Benzamide, 4-nitro-
- 1,2-Ethanediol + Benzamide, 4-nitro-
- Benzamide, 4-nitro- + Dimethyl Sulfoxide + Water
- Isopropyl Alcohol + Benzamide, 4-nitro- + Water
- Ethanol + Benzamide, 4-nitro- + Water
- 1,2-Ethanediol + Benzamide, 4-nitro- + Water
Sources
- Crippen Method
- Crippen Method
- Gas phase enthalpies of formation of nitrobenzamides using combustion calorimetry and thermal analysis
- Thermodynamic solubility modelling, solvent effect and preferential solvation of p-nitrobenzamide in aqueous co-solvent mixtures of dimethyl sulfoxide, ethanol, isopropanol and ethylene glycol
- Solubility Determination and Modeling of p-Nitrobenzamide Dissolved in Twelve Neat Solvents from 283.15 to 328.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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