- InChI
- InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
- InChI Key
- SLBQXWXKPNIVSQ-UHFFFAOYSA-N
- Formula
- C8H5NO6
- SMILES
-
O=C(O)c1ccc([N+](=O)[O-])cc1C(
=O)O - Molecular Weight1
- 211.13
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -618.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.00 | kJ/mol | Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids |
| ΔvapH° | 116.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.991 | Crippen Calculated Property | |
| McVol | 132.120 | ml/mol | McGowan Calculated Property |
| Tboil | 561.21 | K | Relay (1.0) Calculated Property |
| Tfus | 432.82 | K | Research on the application of 7-chloro-quinaldine adducts in 7-chloro-quinaldine separation process |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.45; 386.56] | J/mol×K | [862.14; 1117.64] | 
|
| Cp,gas | 357.45 | J/mol×K | 862.14 | Joback Calculated Property |
| Cp,gas | 363.59 | J/mol×K | 904.72 | Joback Calculated Property |
| Cp,gas | 369.12 | J/mol×K | 947.31 | Joback Calculated Property |
| Cp,gas | 374.12 | J/mol×K | 989.89 | Joback Calculated Property |
| Cp,gas | 378.66 | J/mol×K | 1032.47 | Joback Calculated Property |
| Cp,gas | 382.78 | J/mol×K | 1075.06 | Joback Calculated Property |
| Cp,gas | 386.56 | J/mol×K | 1117.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-nitrophthalic acid.
Mixtures
- 1,2-Benzenedicarboxylic acid, 3-nitro- + Water + 4-nitrophthalic acid
- 1,2-Benzenedicarboxylic acid, 3-nitro- + 1,4-Dioxane + 4-nitrophthalic acid
- Water + 4-nitrophthalic acid
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solid liquid phase equilibrium and phase diagram for ternary 3-nitrophthalic acid 4-nitrophthalic acid water system at 283.15K and 333.15K
- Solid-liquid equilibrium (SLE) of ternary system 3-nitrophthalic acid + 4-nitrophthalic acid + 1,4-dioxane at (283.15, 293.15, 303.15, 313.15 and 323.15) K
- Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
- Research on the application of 7-chloro-quinaldine adducts in 7-chloro-quinaldine separation process
- Equilibrium Solubility of 3- and 4-Nitrophthalic Acids in Water
- Joback Method
- McGowan Method
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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