Chemical Properties of 4-Methoxycarbonylbenzoic acid

InChI

InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)

InChI Key

REIDAMBAPLIATC-UHFFFAOYSA-N

Formula

C9H8O4

SMILES

COC(=O)c1ccc(C(=O)O)cc1

Molecular Weight¹

180.16

Other Names

• 1,4-benzenedicarboxylic acid, monomethyl ester
• 4-(carbomethoxy)benzoic acid
• hydrogen methyl terephthalate
• methyl hydrogen 1,4-benzenedicarboxylate
• monomethyl terephthalate
• terephthalic acid, monomethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.66; 380.97]	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			5.11000e+00
Coefficient B			7.16420e-01
Coefficient C			-4.07960e-04
Coefficient D			6.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.66	J/mol×K	273.00	Calculated Property
Cp,gas	210.49	J/mol×K	353.78	Calculated Property
Cp,gas	244.93	J/mol×K	434.56	Calculated Property
Cp,gas	275.19	J/mol×K	515.33	Calculated Property
Cp,gas	301.49	J/mol×K	596.11	Calculated Property
Cp,gas	324.03	J/mol×K	676.89	Calculated Property
Cp,gas	343.04	J/mol×K	757.67	Calculated Property
Cp,gas	358.72	J/mol×K	838.44	Calculated Property
Cp,gas	371.30	J/mol×K	919.22	Calculated Property
Cp,gas	380.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004964; 0.0002094]	Pa×s	[494.65; 607.48]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22552e+01
Coefficient B			2.29870e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			494.65
Temperature range, max.			607.48
η	0.0004964	Pa×s	494.65	Calculated Property
η	0.0004426	Pa×s	507.19	Calculated Property
η	0.0003967	Pa×s	519.72	Calculated Property
η	0.0003575	Pa×s	532.26	Calculated Property
η	0.0003237	Pa×s	544.80	Calculated Property
η	0.0002944	Pa×s	557.33	Calculated Property
η	0.0002688	Pa×s	569.87	Calculated Property
η	0.0002465	Pa×s	582.41	Calculated Property
η	0.0002268	Pa×s	594.95	Calculated Property
η	0.0002094	Pa×s	607.48	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methoxycarbonylbenzoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Vapor Pressures and Phase Changes Enthalpy and Gibbs Energy of Three Crystalline Monomethyl Benzenedicarboxylates
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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