- InChI
- InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
- InChI Key
- OTLNPYWUJOZPPA-UHFFFAOYSA-N
- Formula
- C7H5NO4
- SMILES
- O=C(O)c1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 167.12
- CAS
- 62-23-7
- Other Names
-
- 1-Carboxy-4-nitrobenzene
- 4-Nitrobenzoic acid
- 4-Nitrodracylic acid
- Benzoic acid, p-nitro-
- Kyselina p-nitrobenzoova
- NSC 7707
- Nitrodracylic acid
- p-Nitrobenzenecarboxylic acid
- p-Nitrobenzoic acid
- p-Nitrodracylic acid
- p-carboxynitrobenzene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-3049.75; -3042.00] | kJ/mol |
|
| ΔcH°solid | -3042.00 ± 0.80 | kJ/mol | NIST |
| ΔcH°solid | -3049.75 | kJ/mol | NIST |
| ΔfG° | -119.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.32 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -427.20 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 24.59 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 119.70 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 74.13 | kJ/mol | Joback Calculated Property |
| IE | 10.20 ± 0.20 | eV | NIST |
| log10WS | -2.75 | Aq. Sol... | |
| logPoct/wat | 1.293 | Crippen Calculated Property | |
| McVol | 110.590 | ml/mol | McGowan Calculated Property |
| Pc | 5051.40 | kPa | Joback Calculated Property |
| Inp | [1543.00; 1543.00] |
|
|
| Inp | 1543.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Tboil | 689.11 | K | Joback Calculated Property |
| Tc | 923.22 | K | Joback Calculated Property |
| Tfus | [507.00; 513.55] | K |
|
| Tfus | 513.55 | K | Aq. Sol... |
| Tfus | 513.00 | K | Solid l... |
| Tfus | 512.35 ± 0.20 | K | NIST |
| Tfus | 512.40 ± 0.30 | K | NIST |
| Tfus | 507.00 ± 3.00 | K | NIST |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.39; 304.86] | J/mol×K | [689.11; 923.22] |
|
| Cp,gas | 268.39 | J/mol×K | 689.11 | Joback Calculated Property |
| Cp,gas | 275.94 | J/mol×K | 728.13 | Joback Calculated Property |
| Cp,gas | 282.85 | J/mol×K | 767.15 | Joback Calculated Property |
| Cp,gas | 289.17 | J/mol×K | 806.16 | Joback Calculated Property |
| Cp,gas | 294.92 | J/mol×K | 845.18 | Joback Calculated Property |
| Cp,gas | 300.14 | J/mol×K | 884.20 | Joback Calculated Property |
| Cp,gas | 304.86 | J/mol×K | 923.22 | Joback Calculated Property |
| Cp,solid | [180.30; 197.90] | J/mol×K | [297.90; 323.00] |
|
| Cp,solid | 182.80 | J/mol×K | 297.90 | NIST |
| Cp,solid | 180.30 | J/mol×K | 298.00 | NIST |
| Cp,solid | 197.90 | J/mol×K | 323.00 | NIST |
| ΔfusH | [36.90; 36.90] | kJ/mol | [512.35; 512.40] |
|
| ΔfusH | 36.90 | kJ/mol | 512.35 | NIST |
| ΔfusH | 36.90 | kJ/mol | 512.40 | NIST |
| ΔfusH | 36.90 | kJ/mol | 512.40 | NIST |
| ΔfusH | 36.90 | kJ/mol | 512.40 | NIST |
| ΔsubH | 115.40 ± 0.60 | kJ/mol | 374.00 | NIST |
| ΔfusS | [72.00; 72.00] | J/mol×K | [512.35; 512.40] |
|
| ΔfusS | 72.00 | J/mol×K | 512.35 | NIST |
| ΔfusS | 72.00 | J/mol×K | 512.40 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-nitro-.
Mixtures
- Benzoic acid, 4-nitro- + Benzoic acid, 2-nitro- + Acetone
- Benzoic acid, 4-nitro- + Benzoic acid, 3-nitro- + Acetone
- Carbon dioxide + Benzoic acid, 4-nitro-
- Carbon dioxide + Benzoic acid, 4-nitro- + Cyclohexane
- Carbon dioxide + Benzoic acid, 4-nitro- + Ethanol
- Carbon dioxide + Benzoic acid, 4-nitro- + Acetone
- Benzoic acid, 4-nitro- + Benzoic acid, 3-nitro- + Ethanol
Sources
- Crippen Method
- Solid liquid phase equilibrium and phase diagram for ternary o-nitrobenzoic acid p-nitrobenzoic acid acetone system at 283.15K and 313.15K
- Solid liquid equilibria of the ternary system m-nitrobenzoic acid + p-nitrobenzoic acid + acetone
- Solubility of p-Nitrobenzoic Acid in Supercritical Carbon Dioxide with and without Cosolvents
- Solid-Liquid Equilibrium and Phase Diagram for the Ternary p-Nitrobenzoic Acid + m-Nitrobenzoic Acid + Ethanol System
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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