Chemical Properties of Benzoic acid, 4-methoxy-, decyl ester (CAS 6974-04-5)

InChI

InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-15-21-18(19)16-11-13-17(20-2)14-12-16/h11-14H,3-10,15H2,1-2H3

InChI Key

BENWKHCLHKJAMG-UHFFFAOYSA-N

Formula

C18H28O3

SMILES

CCCCCCCCCCOC(=O)c1ccc(OC)cc1

Molecular Weight¹

292.41

CAS

6974-04-5

Other Names

• p-Methoxybenzoic acid, decyl 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	[364.37; 853.01]	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			1.78290e+01
Coefficient B			1.45744e+00
Coefficient C			-7.13960e-04
Coefficient D			9.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.37	J/mol×K	273.00	Calculated Property
Cp,gas	448.14	J/mol×K	353.78	Calculated Property
Cp,gas	523.87	J/mol×K	434.56	Calculated Property
Cp,gas	591.84	J/mol×K	515.33	Calculated Property
Cp,gas	652.35	J/mol×K	596.11	Calculated Property
Cp,gas	705.67	J/mol×K	676.89	Calculated Property
Cp,gas	752.11	J/mol×K	757.67	Calculated Property
Cp,gas	791.95	J/mol×K	838.44	Calculated Property
Cp,gas	825.49	J/mol×K	919.22	Calculated Property
Cp,gas	853.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011370; 0.0001028]	Pa×s	[396.12; 639.77]	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			-1.30888e+01
Coefficient B			2.49929e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			396.12
Temperature range, max.			639.77
η	0.0011370	Pa×s	396.12	Calculated Property
η	0.0007594	Pa×s	423.19	Calculated Property
η	0.0005324	Pa×s	450.26	Calculated Property
η	0.0003886	Pa×s	477.34	Calculated Property
η	0.0002934	Pa×s	504.41	Calculated Property
η	0.0002280	Pa×s	531.48	Calculated Property
η	0.0001815	Pa×s	558.55	Calculated Property
η	0.0001476	Pa×s	585.63	Calculated Property
η	0.0001222	Pa×s	612.70	Calculated Property
η	0.0001028	Pa×s	639.77	Calculated Property

Similar Compounds

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

Sources

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

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