Chemical Properties of Acetic acid, 4-benzoyl-3-hydroxyphenoxy-, dodecyl ester

InChI

InChI=1S/C27H36O5/c1-2-3-4-5-6-7-8-9-10-14-19-31-26(29)21-32-23-17-18-24(25(28)20-23)27(30)22-15-12-11-13-16-22/h11-13,15-18,20,28H,2-10,14,19,21H2,1H3

InChI Key

UHPRCGHAUHEORR-UHFFFAOYSA-N

Formula

C27H36O5

SMILES

CCCCCCCCCCCCOC(=O)COc1ccc(C(=O)c2ccccc2)c(O)c1

Molecular Weight¹

440.58

• 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).
• 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	[515.84; 1210.24]	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			-2.58180e+01
Coefficient B			2.36012e+00
Coefficient C			-1.47242e-03
Coefficient D			3.48360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	515.84	J/mol×K	273.00	Calculated Property
Cp,gas	640.28	J/mol×K	353.78	Calculated Property
Cp,gas	750.32	J/mol×K	434.56	Calculated Property
Cp,gas	847.08	J/mol×K	515.33	Calculated Property
Cp,gas	931.65	J/mol×K	596.11	Calculated Property
Cp,gas	1005.13	J/mol×K	676.89	Calculated Property
Cp,gas	1068.63	J/mol×K	757.67	Calculated Property
Cp,gas	1123.25	J/mol×K	838.44	Calculated Property
Cp,gas	1170.08	J/mol×K	919.22	Calculated Property
Cp,gas	1210.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000130; 0.0000012]	Pa×s	[685.62; 934.91]	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			-2.02049e+01
Coefficient B			6.13912e+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.			685.62
Temperature range, max.			934.91
η	0.0000130	Pa×s	685.62	Calculated Property
η	0.0000092	Pa×s	713.32	Calculated Property
η	0.0000067	Pa×s	741.02	Calculated Property
η	0.0000049	Pa×s	768.72	Calculated Property
η	0.0000037	Pa×s	796.42	Calculated Property
η	0.0000029	Pa×s	824.12	Calculated Property
η	0.0000023	Pa×s	851.81	Calculated Property
η	0.0000018	Pa×s	879.51	Calculated Property
η	0.0000015	Pa×s	907.21	Calculated Property
η	0.0000012	Pa×s	934.91	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 4-benzoyl-3-hydroxyphenoxy-, dodecyl ester.

Sources

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

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