Chemical Properties of 2-Methoxybenzoic acid, 2-methoxybenzyl ester

InChI

InChI=1S/C16H16O4/c1-18-14-9-5-3-7-12(14)11-20-16(17)13-8-4-6-10-15(13)19-2/h3-10H,11H2,1-2H3

InChI Key

NNLUYJMVNPPSPE-UHFFFAOYSA-N

Formula

C16H16O4

SMILES

COc1ccccc1COC(=O)c1ccccc1OC

Molecular Weight¹

272.30

• 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_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, 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	[282.64; 646.76]	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			2.55410e+01
Coefficient B			1.06584e+00
Coefficient C			-4.58320e-04
Coefficient D			1.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.64	J/mol×K	273.00	Calculated Property
Cp,gas	345.86	J/mol×K	353.78	Calculated Property
Cp,gas	403.28	J/mol×K	434.56	Calculated Property
Cp,gas	454.96	J/mol×K	515.33	Calculated Property
Cp,gas	500.94	J/mol×K	596.11	Calculated Property
Cp,gas	541.25	J/mol×K	676.89	Calculated Property
Cp,gas	575.95	J/mol×K	757.67	Calculated Property
Cp,gas	605.07	J/mol×K	838.44	Calculated Property
Cp,gas	628.66	J/mol×K	919.22	Calculated Property
Cp,gas	646.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006219; 0.0000879]	Pa×s	[434.75; 671.18]	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			-1.29381e+01
Coefficient B			2.41522e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			434.75
Temperature range, max.			671.18
η	0.0006219	Pa×s	434.75	Calculated Property
η	0.0004532	Pa×s	461.02	Calculated Property
η	0.0003417	Pa×s	487.29	Calculated Property
η	0.0002652	Pa×s	513.56	Calculated Property
η	0.0002109	Pa×s	539.83	Calculated Property
η	0.0001714	Pa×s	566.10	Calculated Property
η	0.0001418	Pa×s	592.37	Calculated Property
η	0.0001193	Pa×s	618.64	Calculated Property
η	0.0001017	Pa×s	644.91	Calculated Property
η	0.0000879	Pa×s	671.18	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxybenzoic acid, 2-methoxybenzyl ester.

Sources

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

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