Chemical Properties of 3-(Hexadecyloxy)-2-benzofuran-1(3h)-one

InChI

InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-24-22-19-16-15-18-21(22)23(25)27-24/h15-16,18-19,24H,2-14,17,20H2,1H3

InChI Key

OZWCPSZFQNJWGZ-UHFFFAOYSA-N

Formula

C24H38O3

SMILES

CCCCCCCCCCCCCCCCOC1OC(=O)c2ccccc21

Molecular Weight¹

374.56

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[477.99; 1138.73]	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			-2.76250e+01
Coefficient B			2.19752e+00
Coefficient C			-1.35336e-03
Coefficient D			3.22200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	477.99	J/mol×K	273.00	Calculated Property
Cp,gas	594.69	J/mol×K	353.78	Calculated Property
Cp,gas	698.19	J/mol×K	434.56	Calculated Property
Cp,gas	789.52	J/mol×K	515.33	Calculated Property
Cp,gas	869.68	J/mol×K	596.11	Calculated Property
Cp,gas	939.70	J/mol×K	676.89	Calculated Property
Cp,gas	1000.59	J/mol×K	757.67	Calculated Property
Cp,gas	1053.39	J/mol×K	838.44	Calculated Property
Cp,gas	1099.09	J/mol×K	919.22	Calculated Property
Cp,gas	1138.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012018; 0.0002770]	Pa×s	[488.72; 738.29]	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			-1.10652e+01
Coefficient B			2.12167e+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.			488.72
Temperature range, max.			738.29
η	0.0012018	Pa×s	488.72	Calculated Property
η	0.0009519	Pa×s	516.45	Calculated Property
η	0.0007721	Pa×s	544.18	Calculated Property
η	0.0006391	Pa×s	571.91	Calculated Property
η	0.0005383	Pa×s	599.64	Calculated Property
η	0.0004604	Pa×s	627.37	Calculated Property
η	0.0003990	Pa×s	655.10	Calculated Property
η	0.0003498	Pa×s	682.83	Calculated Property
η	0.0003099	Pa×s	710.56	Calculated Property
η	0.0002770	Pa×s	738.29	Calculated Property

Similar Compounds

Find more compounds similar to 3-(Hexadecyloxy)-2-benzofuran-1(3h)-one.

Sources

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

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