Chemical Properties of 3,5-Dihydroxy-4-methoxybenzoic acid

InChI

InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)

InChI Key

UBXDWYFLYYJQFR-UHFFFAOYSA-N

Formula

C8H8O5

SMILES

COc1c(O)cc(C(=O)O)cc1O

Molecular Weight¹

184.15

Other Names

• 4-O-Methylgallic acid
• 5-Hydroxyisovanillic acid
• Benzoic acid, 3,5-dihydroxy-4-methoxy-
• 3,5-dihydroxy-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_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	[183.29; 384.61]	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			-1.17300e+01
Coefficient B			9.22220e-01
Coefficient C			-8.49880e-04
Coefficient D			3.24000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.29	J/mol×K	273.00	Calculated Property
Cp,gas	222.51	J/mol×K	353.78	Calculated Property
Cp,gas	255.12	J/mol×K	434.56	Calculated Property
Cp,gas	282.16	J/mol×K	515.33	Calculated Property
Cp,gas	304.64	J/mol×K	596.11	Calculated Property
Cp,gas	323.60	J/mol×K	676.89	Calculated Property
Cp,gas	340.05	J/mol×K	757.67	Calculated Property
Cp,gas	355.02	J/mol×K	838.44	Calculated Property
Cp,gas	369.53	J/mol×K	919.22	Calculated Property
Cp,gas	384.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000067; 0.0000023]	Pa×s	[625.13; 690.36]	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			-2.30533e+01
Coefficient B			6.96247e+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.			625.13
Temperature range, max.			690.36
η	0.0000067	Pa×s	625.13	Calculated Property
η	0.0000059	Pa×s	632.38	Calculated Property
η	0.0000052	Pa×s	639.62	Calculated Property
η	0.0000046	Pa×s	646.87	Calculated Property
η	0.0000041	Pa×s	654.12	Calculated Property
η	0.0000036	Pa×s	661.37	Calculated Property
η	0.0000032	Pa×s	668.61	Calculated Property
η	0.0000029	Pa×s	675.86	Calculated Property
η	0.0000026	Pa×s	683.11	Calculated Property
η	0.0000023	Pa×s	690.36	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dihydroxy-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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