Chemical Properties of 3-Methoxy-2-nitrobenzoic acid (CAS 4920-80-3)

InChI

InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)

InChI Key

YMOMYSDAOXOCID-UHFFFAOYSA-N

Formula

C8H7NO5

SMILES

COc1cccc(C(=O)O)c1[N+](=O)[O-]

Molecular Weight¹

197.14

CAS

4920-80-3

Other Names

• 2-Nitro-3-methoxybenzoic acid
• Benzoic acid, 3-methoxy-2-nitro-
• m-Anisic acid, 2-nitro-

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.32; 381.49]	J/mol×K	[739.05; 987.34]
Cp,gas	339.32	J/mol×K	739.05	Joback Calculated Property
Cp,gas	348.20	J/mol×K	780.43	Joback Calculated Property
Cp,gas	356.31	J/mol×K	821.81	Joback Calculated Property
Cp,gas	363.67	J/mol×K	863.19	Joback Calculated Property
Cp,gas	370.31	J/mol×K	904.57	Joback Calculated Property
Cp,gas	376.24	J/mol×K	945.96	Joback Calculated Property
Cp,gas	381.49	J/mol×K	987.34	Joback Calculated Property
ΔsubH	136.60 ± 1.30	kJ/mol	404.00	NIST

Similar Compounds

Find more compounds similar to 3-Methoxy-2-nitrobenzoic 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
• Joback Method
• McGowan Method
• NIST Webbook

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