Chemical Properties of 3-Hydroxy-4-methoxybenzoic acid

InChI

InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)

InChI Key

LBKFGYZQBSGRHY-UHFFFAOYSA-N

Formula

C8H8O4

SMILES

COc1ccc(C(=O)O)cc1O

Molecular Weight¹

168.15

Other Names

• Isovanillic acid
• Benzoic acid, 3-hydroxy-4-methoxy-
• p-Anisic acid, 3-hydroxy-
• Acide isovanillique
• 3-Hydroxyanisic acid
• 3-hydroxy-p-anisic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_c : Critical 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 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	[166.40; 362.19]	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			-2.81000e+00
Coefficient B			7.67620e-01
Coefficient C			-5.93520e-04
Coefficient D			1.90900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.40	J/mol×K	273.00	Calculated Property
Cp,gas	202.93	J/mol×K	353.78	Calculated Property
Cp,gas	234.35	J/mol×K	434.56	Calculated Property
Cp,gas	261.28	J/mol×K	515.33	Calculated Property
Cp,gas	284.31	J/mol×K	596.11	Calculated Property
Cp,gas	304.05	J/mol×K	676.89	Calculated Property
Cp,gas	321.11	J/mol×K	757.67	Calculated Property
Cp,gas	336.08	J/mol×K	838.44	Calculated Property
Cp,gas	349.57	J/mol×K	919.22	Calculated Property
Cp,gas	362.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001312; 0.0000314]	Pa×s	[523.15; 628.85]	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			-1.74442e+01
Coefficient B			4.44969e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			523.15
Temperature range, max.			628.85
η	0.0001312	Pa×s	523.15	Calculated Property
η	0.0001089	Pa×s	534.89	Calculated Property
η	0.0000911	Pa×s	546.64	Calculated Property
η	0.0000767	Pa×s	558.38	Calculated Property
η	0.0000651	Pa×s	570.13	Calculated Property
η	0.0000556	Pa×s	581.87	Calculated Property
η	0.0000478	Pa×s	593.62	Calculated Property
η	0.0000413	Pa×s	605.36	Calculated Property
η	0.0000359	Pa×s	617.11	Calculated Property
η	0.0000314	Pa×s	628.85	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxy-4-methoxybenzoic 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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