Chemical Properties of 4-Butylbenzoic acid, 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C17H26O3/c1-4-5-6-15-7-9-16(10-8-15)17(18)20-13-14(2)11-12-19-3/h7-10,14H,4-6,11-13H2,1-3H3

InChI Key

MAPCYJGHNRLAOA-UHFFFAOYSA-N

Formula

C17H26O3

SMILES

CCCCc1ccc(C(=O)OCC(C)CCOC)cc1

Molecular Weight¹

278.39

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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 Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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	[342.84; 801.96]	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			1.70560e+01
Coefficient B			1.36836e+00
Coefficient C			-6.62760e-04
Coefficient D			7.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.84	J/mol×K	273.00	Calculated Property
Cp,gas	421.71	J/mol×K	353.78	Calculated Property
Cp,gas	493.04	J/mol×K	434.56	Calculated Property
Cp,gas	557.06	J/mol×K	515.33	Calculated Property
Cp,gas	614.04	J/mol×K	596.11	Calculated Property
Cp,gas	664.22	J/mol×K	676.89	Calculated Property
Cp,gas	707.84	J/mol×K	757.67	Calculated Property
Cp,gas	745.18	J/mol×K	838.44	Calculated Property
Cp,gas	776.46	J/mol×K	919.22	Calculated Property
Cp,gas	801.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015528; 0.0001039]	Pa×s	[369.85; 626.24]	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			-1.30730e+01
Coefficient B			2.44295e+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.			369.85
Temperature range, max.			626.24
η	0.0015528	Pa×s	369.85	Calculated Property
η	0.0009682	Pa×s	398.34	Calculated Property
η	0.0006429	Pa×s	426.83	Calculated Property
η	0.0004494	Pa×s	455.31	Calculated Property
η	0.0003277	Pa×s	483.80	Calculated Property
η	0.0002475	Pa×s	512.29	Calculated Property
η	0.0001925	Pa×s	540.78	Calculated Property
η	0.0001535	Pa×s	569.27	Calculated Property
η	0.0001251	Pa×s	597.75	Calculated Property
η	0.0001039	Pa×s	626.24	Calculated Property

Similar Compounds

Find more compounds similar to 4-Butylbenzoic acid, 4-methoxy-2-methylbutyl ester.

Sources

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

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