Chemical Properties of 3,5-Dimethoxy-4-hydroxyphenylacetic acid (CAS 4385-56-2)

InChI

InChI=1S/C10H12O5/c1-14-7-3-6(5-9(11)12)4-8(15-2)10(7)13/h3-4,13H,5H2,1-2H3,(H,11,12)

InChI Key

BQBQKSSTFGCRQL-UHFFFAOYSA-N

Formula

C10H12O5

SMILES

COc1cc(CC(=O)O)cc(OC)c1O

Molecular Weight¹

212.20

CAS

4385-56-2

Other Names

• 4-hydroxy-3,5-dimethoxyphenylacetic acid
• Benzeneacetic acid, 4-hydroxy-3,5-dimethoxy-
• Homosyringic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[226.78; 480.83]	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			3.51710e+01
Coefficient B			8.34940e-01
Coefficient C			-5.24280e-04
Coefficient D			1.35000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.78	J/mol×K	273.00	Calculated Property
Cp,gas	270.91	J/mol×K	353.78	Calculated Property
Cp,gas	310.07	J/mol×K	434.56	Calculated Property
Cp,gas	344.69	J/mol×K	515.33	Calculated Property
Cp,gas	375.18	J/mol×K	596.11	Calculated Property
Cp,gas	401.99	J/mol×K	676.89	Calculated Property
Cp,gas	425.53	J/mol×K	757.67	Calculated Property
Cp,gas	446.23	J/mol×K	838.44	Calculated Property
Cp,gas	464.52	J/mol×K	919.22	Calculated Property
Cp,gas	480.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000644; 0.0000185]	Pa×s	[570.70; 672.47]	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			-1.79015e+01
Coefficient B			4.70884e+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.			570.70
Temperature range, max.			672.47
η	0.0000644	Pa×s	570.70	Calculated Property
η	0.0000549	Pa×s	582.01	Calculated Property
η	0.0000470	Pa×s	593.32	Calculated Property
η	0.0000405	Pa×s	604.62	Calculated Property
η	0.0000351	Pa×s	615.93	Calculated Property
η	0.0000306	Pa×s	627.24	Calculated Property
η	0.0000268	Pa×s	638.55	Calculated Property
η	0.0000236	Pa×s	649.86	Calculated Property
η	0.0000208	Pa×s	661.17	Calculated Property
η	0.0000185	Pa×s	672.47	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dimethoxy-4-hydroxyphenylacetic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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