Chemical Properties of Glutaric acid, 4-acetylphenyl hexyl ester

InChI

InChI=1S/C19H26O5/c1-3-4-5-6-14-23-18(21)8-7-9-19(22)24-17-12-10-16(11-13-17)15(2)20/h10-13H,3-9,14H2,1-2H3

InChI Key

ZBARMGGXXKGYED-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

CCCCCCOC(=O)CCCC(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

334.41

• 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	[387.44; 883.23]	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			2.41880e+01
Coefficient B			1.53284e+00
Coefficient C			-7.66060e-04
Coefficient D			9.22600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.44	J/mol×K	273.00	Calculated Property
Cp,gas	474.68	J/mol×K	353.78	Calculated Property
Cp,gas	553.20	J/mol×K	434.56	Calculated Property
Cp,gas	623.30	J/mol×K	515.33	Calculated Property
Cp,gas	685.26	J/mol×K	596.11	Calculated Property
Cp,gas	739.37	J/mol×K	676.89	Calculated Property
Cp,gas	785.93	J/mol×K	757.67	Calculated Property
Cp,gas	825.24	J/mol×K	838.44	Calculated Property
Cp,gas	857.57	J/mol×K	919.22	Calculated Property
Cp,gas	883.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007638; 0.0000818]	Pa×s	[477.42; 726.98]	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			-1.36856e+01
Coefficient B			3.10727e+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.			477.42
Temperature range, max.			726.98
η	0.0007638	Pa×s	477.42	Calculated Property
η	0.0005344	Pa×s	505.15	Calculated Property
η	0.0003880	Pa×s	532.88	Calculated Property
η	0.0002908	Pa×s	560.61	Calculated Property
η	0.0002239	Pa×s	588.34	Calculated Property
η	0.0001766	Pa×s	616.07	Calculated Property
η	0.0001421	Pa×s	643.80	Calculated Property
η	0.0001164	Pa×s	671.52	Calculated Property
η	0.0000969	Pa×s	699.25	Calculated Property
η	0.0000818	Pa×s	726.98	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-acetylphenyl hexyl ester.

Sources

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

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