Chemical Properties of m-Methoxybenzoic acid, phenyl ester (CAS 65853-67-0)

InChI

InChI=1S/C14H12O3/c1-16-13-9-5-6-11(10-13)14(15)17-12-7-3-2-4-8-12/h2-10H,1H3

InChI Key

ZAUTUSIGKHWTSX-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

COc1cccc(C(=O)Oc2ccccc2)c1

Molecular Weight¹

228.24

CAS

65853-67-0

• 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).
• 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).
• 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	[222.25; 528.12]	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			-1.24400e+01
Coefficient B			9.98520e-01
Coefficient C			-5.27560e-04
Coefficient D			6.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.25	J/mol×K	273.00	Calculated Property
Cp,gas	277.87	J/mol×K	353.78	Calculated Property
Cp,gas	327.56	J/mol×K	434.56	Calculated Property
Cp,gas	371.55	J/mol×K	515.33	Calculated Property
Cp,gas	410.06	J/mol×K	596.11	Calculated Property
Cp,gas	443.32	J/mol×K	676.89	Calculated Property
Cp,gas	471.53	J/mol×K	757.67	Calculated Property
Cp,gas	494.92	J/mol×K	838.44	Calculated Property
Cp,gas	513.71	J/mol×K	919.22	Calculated Property
Cp,gas	528.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012156; 0.0001245]	Pa×s	[377.46; 627.91]	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			-1.24246e+01
Coefficient B			2.15607e+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.			377.46
Temperature range, max.			627.91
η	0.0012156	Pa×s	377.46	Calculated Property
η	0.0008212	Pa×s	405.29	Calculated Property
η	0.0005835	Pa×s	433.11	Calculated Property
η	0.0004320	Pa×s	460.94	Calculated Property
η	0.0003310	Pa×s	488.77	Calculated Property
η	0.0002610	Pa×s	516.60	Calculated Property
η	0.0002109	Pa×s	544.42	Calculated Property
η	0.0001739	Pa×s	572.25	Calculated Property
η	0.0001460	Pa×s	600.08	Calculated Property
η	0.0001245	Pa×s	627.91	Calculated Property

Similar Compounds

Find more compounds similar to m-Methoxybenzoic acid, phenyl ester.

Sources

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

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