Chemical Properties of METHYL 2,6-DIHYDROXY-4-METHYLBENZOATE

InChI

InChI=1S/C9H10O4/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4,10-11H,1-2H3

InChI Key

RIJMQNGJNNAAQK-UHFFFAOYSA-N

Formula

C9H10O4

SMILES

COC(=O)c1c(O)cc(C)cc1O

Molecular Weight¹

182.18

Other Names

• Benzoic acid, 2,6-dihydroxy-4-methyl-, methyl ester
• Resorcylic acid,«gamma», 4-methyl-,methyl ester
• methyl 2,6-dihydroxy-p-toluate

• 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).
• I_np : Non-polar retention indices.
• 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 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	[191.81; 415.03]	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			-1.73300e+01
Coefficient B			9.74840e-01
Coefficient C			-8.48080e-04
Coefficient D			3.05600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.81	J/mol×K	273.00	Calculated Property
Cp,gas	234.93	J/mol×K	353.78	Calculated Property
Cp,gas	271.22	J/mol×K	434.56	Calculated Property
Cp,gas	301.64	J/mol×K	515.33	Calculated Property
Cp,gas	327.15	J/mol×K	596.11	Calculated Property
Cp,gas	348.73	J/mol×K	676.89	Calculated Property
Cp,gas	367.35	J/mol×K	757.67	Calculated Property
Cp,gas	383.95	J/mol×K	838.44	Calculated Property
Cp,gas	399.53	J/mol×K	919.22	Calculated Property
Cp,gas	415.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000701; 0.0000046]	Pa×s	[495.90; 624.68]	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			-2.27850e+01
Coefficient B			6.55532e+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.			495.90
Temperature range, max.			624.68
η	0.0000701	Pa×s	495.90	Calculated Property
η	0.0000484	Pa×s	510.21	Calculated Property
η	0.0000341	Pa×s	524.52	Calculated Property
η	0.0000244	Pa×s	538.83	Calculated Property
η	0.0000178	Pa×s	553.14	Calculated Property
η	0.0000132	Pa×s	567.45	Calculated Property
η	0.0000100	Pa×s	581.76	Calculated Property
η	0.0000076	Pa×s	596.07	Calculated Property
η	0.0000059	Pa×s	610.37	Calculated Property
η	0.0000046	Pa×s	624.68	Calculated Property

Similar Compounds

Find more compounds similar to METHYL 2,6-DIHYDROXY-4-METHYLBENZOATE.

Sources

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

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