Chemical Properties of Benzoic acid, 4-methoxy-, nonyl ester (CAS 55469-25-5)

InChI

InChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-14-20-17(18)15-10-12-16(19-2)13-11-15/h10-13H,3-9,14H2,1-2H3

InChI Key

VJHRENOBIICHMY-UHFFFAOYSA-N

Formula

C17H26O3

SMILES

CCCCCCCCCOC(=O)c1ccc(OC)cc1

Molecular Weight¹

278.39

CAS

55469-25-5

Other Names

• p-Anisic acid, nonyl 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).
• 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	[343.15; 801.42]	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			1.87380e+01
Coefficient B			1.36244e+00
Coefficient C			-6.59560e-04
Coefficient D			7.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.15	J/mol×K	273.00	Calculated Property
Cp,gas	421.72	J/mol×K	353.78	Calculated Property
Cp,gas	492.79	J/mol×K	434.56	Calculated Property
Cp,gas	556.61	J/mol×K	515.33	Calculated Property
Cp,gas	613.43	J/mol×K	596.11	Calculated Property
Cp,gas	663.51	J/mol×K	676.89	Calculated Property
Cp,gas	707.10	J/mol×K	757.67	Calculated Property
Cp,gas	744.44	J/mol×K	838.44	Calculated Property
Cp,gas	775.80	J/mol×K	919.22	Calculated Property
Cp,gas	801.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012440; 0.0001130]	Pa×s	[384.85; 624.53]	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			-1.29390e+01
Coefficient B			2.40513e+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.			384.85
Temperature range, max.			624.53
η	0.0012440	Pa×s	384.85	Calculated Property
η	0.0008301	Pa×s	411.48	Calculated Property
η	0.0005819	Pa×s	438.11	Calculated Property
η	0.0004248	Pa×s	464.74	Calculated Property
η	0.0003209	Pa×s	491.38	Calculated Property
η	0.0002495	Pa×s	518.01	Calculated Property
η	0.0001988	Pa×s	544.64	Calculated Property
η	0.0001619	Pa×s	571.27	Calculated Property
η	0.0001342	Pa×s	597.90	Calculated Property
η	0.0001130	Pa×s	624.53	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-methoxy-, nonyl ester.

Sources

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

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