Chemical Properties of Benzoic acid, 2,3-dihydroxy-, methyl ester

InChI

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

InChI Key

DOAJWTSNTNAEIY-UHFFFAOYSA-N

Formula

C8H8O4

SMILES

COC(=O)c1cccc(O)c1O

Molecular Weight¹

168.15

Other Names

• Methyl 2,3-dihydroxybenzoate
• o-Pyrocatechuic acid, methyl ester

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.05; 366.48]	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			-3.07200e+01
Coefficient B			9.39320e-01
Coefficient C			-8.60720e-04
Coefficient D			3.18600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.05	J/mol×K	273.00	Calculated Property
Cp,gas	207.97	J/mol×K	353.78	Calculated Property
Cp,gas	241.07	J/mol×K	434.56	Calculated Property
Cp,gas	268.37	J/mol×K	515.33	Calculated Property
Cp,gas	290.85	J/mol×K	596.11	Calculated Property
Cp,gas	309.54	J/mol×K	676.89	Calculated Property
Cp,gas	325.44	J/mol×K	757.67	Calculated Property
Cp,gas	339.56	J/mol×K	838.44	Calculated Property
Cp,gas	352.90	J/mol×K	919.22	Calculated Property
Cp,gas	366.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001277; 0.0000058]	Pa×s	[472.11; 608.02]	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			-2.27602e+01
Coefficient B			6.51242e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			472.11
Temperature range, max.			608.02
η	0.0001277	Pa×s	472.11	Calculated Property
η	0.0000833	Pa×s	487.21	Calculated Property
η	0.0000557	Pa×s	502.31	Calculated Property
η	0.0000382	Pa×s	517.41	Calculated Property
η	0.0000267	Pa×s	532.51	Calculated Property
η	0.0000191	Pa×s	547.61	Calculated Property
η	0.0000139	Pa×s	562.72	Calculated Property
η	0.0000102	Pa×s	577.82	Calculated Property
η	0.0000077	Pa×s	592.92	Calculated Property
η	0.0000058	Pa×s	608.02	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2,3-dihydroxy-, methyl ester.

Sources

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

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