Chemical Properties of 4-nitrophthalic acid

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.45; 375.24]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.00000e+00
Coefficient B			7.66860e-01
Coefficient C			-5.32120e-04
Coefficient D			1.35500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.45	J/mol×K	273.00	Calculated Property
Cp,gas	215.70	J/mol×K	353.78	Calculated Property
Cp,gas	248.88	J/mol×K	434.56	Calculated Property
Cp,gas	277.42	J/mol×K	515.33	Calculated Property
Cp,gas	301.75	J/mol×K	596.11	Calculated Property
Cp,gas	322.30	J/mol×K	676.89	Calculated Property
Cp,gas	339.49	J/mol×K	757.67	Calculated Property
Cp,gas	353.76	J/mol×K	838.44	Calculated Property
Cp,gas	365.53	J/mol×K	919.22	Calculated Property
Cp,gas	375.24	J/mol×K	1000.00	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

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