Chemical Properties of Benzoic acid, 4-methoxy-, undecyl ester

InChI

InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-16-22-19(20)17-12-14-18(21-2)15-13-17/h12-15H,3-11,16H2,1-2H3

InChI Key

MVDUGFFIGXLYDD-UHFFFAOYSA-N

Formula

C19H30O3

SMILES

CCCCCCCCCCCOC(=O)c1ccc(OC)cc1

Molecular Weight¹

306.45

Other Names

• p-Anisic acid, undecyl 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	[385.58; 904.60]	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			1.69200e+01
Coefficient B			1.55244e+00
Coefficient C			-7.68360e-04
Coefficient D			1.03600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.58	J/mol×K	273.00	Calculated Property
Cp,gas	474.56	J/mol×K	353.78	Calculated Property
Cp,gas	554.95	J/mol×K	434.56	Calculated Property
Cp,gas	627.07	J/mol×K	515.33	Calculated Property
Cp,gas	691.26	J/mol×K	596.11	Calculated Property
Cp,gas	747.83	J/mol×K	676.89	Calculated Property
Cp,gas	797.13	J/mol×K	757.67	Calculated Property
Cp,gas	839.47	J/mol×K	838.44	Calculated Property
Cp,gas	875.18	J/mol×K	919.22	Calculated Property
Cp,gas	904.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010334; 0.0000929]	Pa×s	[407.39; 655.35]	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			-1.32410e+01
Coefficient B			2.59345e+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.			407.39
Temperature range, max.			655.35
η	0.0010334	Pa×s	407.39	Calculated Property
η	0.0006904	Pa×s	434.94	Calculated Property
η	0.0004840	Pa×s	462.49	Calculated Property
η	0.0003531	Pa×s	490.04	Calculated Property
η	0.0002664	Pa×s	517.60	Calculated Property
η	0.0002068	Pa×s	545.15	Calculated Property
η	0.0001645	Pa×s	572.70	Calculated Property
η	0.0001336	Pa×s	600.25	Calculated Property
η	0.0001106	Pa×s	627.80	Calculated Property
η	0.0000929	Pa×s	655.35	Calculated Property

Similar Compounds

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

Sources

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

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