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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.61; 376.02]	J/mol×K	[739.39; 966.92]
Cp,gas	336.61	J/mol×K	739.39	Joback Calculated Property
Cp,gas	344.79	J/mol×K	777.31	Joback Calculated Property
Cp,gas	352.32	J/mol×K	815.23	Joback Calculated Property
Cp,gas	359.20	J/mol×K	853.16	Joback Calculated Property
Cp,gas	365.43	J/mol×K	891.08	Joback Calculated Property
Cp,gas	371.04	J/mol×K	929.00	Joback Calculated Property
Cp,gas	376.02	J/mol×K	966.92	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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