Chemical Properties of o-Anisic acid, 4-methoxyphenyl ester

InChI

InChI=1S/C15H14O4/c1-17-11-7-9-12(10-8-11)19-15(16)13-5-3-4-6-14(13)18-2/h3-10H,1-2H3

InChI Key

PNFGKOBYWQFVKR-UHFFFAOYSA-N

Formula

C15H14O4

SMILES

COc1ccc(OC(=O)c2ccccc2OC)cc1

Molecular Weight¹

258.27

• 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	[261.42; 595.17]	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			2.64500e+01
Coefficient B			9.70840e-01
Coefficient C			-4.03920e-04
Coefficient D			1.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.42	J/mol×K	273.00	Calculated Property
Cp,gas	319.44	J/mol×K	353.78	Calculated Property
Cp,gas	372.21	J/mol×K	434.56	Calculated Property
Cp,gas	419.73	J/mol×K	515.33	Calculated Property
Cp,gas	462.03	J/mol×K	596.11	Calculated Property
Cp,gas	499.09	J/mol×K	676.89	Calculated Property
Cp,gas	530.93	J/mol×K	757.67	Calculated Property
Cp,gas	557.56	J/mol×K	838.44	Calculated Property
Cp,gas	578.97	J/mol×K	919.22	Calculated Property
Cp,gas	595.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006681; 0.0000947]	Pa×s	[423.48; 658.04]	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			-1.27920e+01
Coefficient B			2.32106e+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.			423.48
Temperature range, max.			658.04
η	0.0006681	Pa×s	423.48	Calculated Property
η	0.0004862	Pa×s	449.54	Calculated Property
η	0.0003664	Pa×s	475.60	Calculated Property
η	0.0002844	Pa×s	501.67	Calculated Property
η	0.0002263	Pa×s	527.73	Calculated Property
η	0.0001840	Pa×s	553.79	Calculated Property
η	0.0001524	Pa×s	579.85	Calculated Property
η	0.0001283	Pa×s	605.91	Calculated Property
η	0.0001095	Pa×s	631.97	Calculated Property
η	0.0000947	Pa×s	658.04	Calculated Property

Similar Compounds

Find more compounds similar to o-Anisic acid, 4-methoxyphenyl ester.

Sources

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

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