Chemical Properties of Benzeneacetic acid, 3,4-dihydroxy-

InChI

InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)

InChI Key

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

Formula

C8H8O4

SMILES

O=C(O)Cc1ccc(O)c(O)c1

Molecular Weight¹

168.15

Other Names

• Acetic acid, (3,4-dihydroxyphenyl)-
• (3,4-Dihydroxyphenyl)acetic acid
• Ba 2773
• Dihydroxyphenylacetic acid
• Dopacetic acid
• DOPAC
• Homoprotocatechuic Acid
• 3,4-Dihydroxybenzeneacetic 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	[165.33; 369.15]	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			-5.15290e+01
Coefficient B			1.04490e+00
Coefficient C			-1.02792e-03
Coefficient D			4.03700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.33	J/mol×K	273.00	Calculated Property
Cp,gas	207.36	J/mol×K	353.78	Calculated Property
Cp,gas	241.56	J/mol×K	434.56	Calculated Property
Cp,gas	269.21	J/mol×K	515.33	Calculated Property
Cp,gas	291.59	J/mol×K	596.11	Calculated Property
Cp,gas	309.98	J/mol×K	676.89	Calculated Property
Cp,gas	325.66	J/mol×K	757.67	Calculated Property
Cp,gas	339.89	J/mol×K	838.44	Calculated Property
Cp,gas	353.96	J/mol×K	919.22	Calculated Property
Cp,gas	369.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000140; 0.0000033]	Pa×s	[590.38; 673.32]	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			-2.28522e+01
Coefficient B			6.89164e+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.			590.38
Temperature range, max.			673.32
η	0.0000140	Pa×s	590.38	Calculated Property
η	0.0000117	Pa×s	599.60	Calculated Property
η	0.0000098	Pa×s	608.81	Calculated Property
η	0.0000083	Pa×s	618.03	Calculated Property
η	0.0000070	Pa×s	627.24	Calculated Property
η	0.0000060	Pa×s	636.46	Calculated Property
η	0.0000051	Pa×s	645.67	Calculated Property
η	0.0000044	Pa×s	654.89	Calculated Property
η	0.0000038	Pa×s	664.10	Calculated Property
η	0.0000033	Pa×s	673.32	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 3,4-dihydroxy-.

Sources

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

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