Chemical Properties of Benzoic acid, 4-(3-methylbutyl)oxy-, 3-methylbutyl ester

InChI

InChI=1S/C17H26O3/c1-13(2)9-11-19-16-7-5-15(6-8-16)17(18)20-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3

InChI Key

QYQILGUQQBHAHE-UHFFFAOYSA-N

Formula

C17H26O3

SMILES

CC(C)CCOC(=O)c1ccc(OCCC(C)C)cc1

Molecular Weight¹

278.39

• 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).
• 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, 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	[342.52; 802.49]	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			1.53740e+01
Coefficient B			1.37428e+00
Coefficient C			-6.65960e-04
Coefficient D			7.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.52	J/mol×K	273.00	Calculated Property
Cp,gas	421.70	J/mol×K	353.78	Calculated Property
Cp,gas	493.28	J/mol×K	434.56	Calculated Property
Cp,gas	557.51	J/mol×K	515.33	Calculated Property
Cp,gas	614.64	J/mol×K	596.11	Calculated Property
Cp,gas	664.92	J/mol×K	676.89	Calculated Property
Cp,gas	708.59	J/mol×K	757.67	Calculated Property
Cp,gas	745.91	J/mol×K	838.44	Calculated Property
Cp,gas	777.13	J/mol×K	919.22	Calculated Property
Cp,gas	802.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019974; 0.0000954]	Pa×s	[354.85; 628.05]	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			-1.32070e+01
Coefficient B			2.48077e+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.			354.85
Temperature range, max.			628.05
η	0.0019974	Pa×s	354.85	Calculated Property
η	0.0011513	Pa×s	385.21	Calculated Property
η	0.0007193	Pa×s	415.56	Calculated Property
η	0.0004791	Pa×s	445.92	Calculated Property
η	0.0003361	Pa×s	476.27	Calculated Property
η	0.0002460	Pa×s	506.63	Calculated Property
η	0.0001865	Pa×s	536.98	Calculated Property
η	0.0001456	Pa×s	567.34	Calculated Property
η	0.0001166	Pa×s	597.69	Calculated Property
η	0.0000954	Pa×s	628.05	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(3-methylbutyl)oxy-, 3-methylbutyl ester.

Sources

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

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