Chemical Properties of Glutaric acid, 4-acetylphenyl isohexyl ester

InChI

InChI=1S/C19H26O5/c1-14(2)6-5-13-23-18(21)7-4-8-19(22)24-17-11-9-16(10-12-17)15(3)20/h9-12,14H,4-8,13H2,1-3H3

InChI Key

SDAFEKZIKCGRFB-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

CC(=O)c1ccc(OC(=O)CCCC(=O)OCCCC(C)C)cc1

Molecular Weight¹

334.41

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[387.12; 883.77]	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			2.25060e+01
Coefficient B			1.53876e+00
Coefficient C			-7.69260e-04
Coefficient D			9.17600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.12	J/mol×K	273.00	Calculated Property
Cp,gas	474.67	J/mol×K	353.78	Calculated Property
Cp,gas	553.45	J/mol×K	434.56	Calculated Property
Cp,gas	623.75	J/mol×K	515.33	Calculated Property
Cp,gas	685.86	J/mol×K	596.11	Calculated Property
Cp,gas	740.08	J/mol×K	676.89	Calculated Property
Cp,gas	786.68	J/mol×K	757.67	Calculated Property
Cp,gas	825.97	J/mol×K	838.44	Calculated Property
Cp,gas	858.24	J/mol×K	919.22	Calculated Property
Cp,gas	883.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008954; 0.0000749]	Pa×s	[462.42; 728.07]	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			-1.38196e+01
Coefficient B			3.14509e+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.			462.42
Temperature range, max.			728.07
η	0.0008954	Pa×s	462.42	Calculated Property
η	0.0005954	Pa×s	491.94	Calculated Property
η	0.0004146	Pa×s	521.45	Calculated Property
η	0.0003001	Pa×s	550.97	Calculated Property
η	0.0002245	Pa×s	580.49	Calculated Property
η	0.0001727	Pa×s	610.00	Calculated Property
η	0.0001362	Pa×s	639.52	Calculated Property
η	0.0001096	Pa×s	669.03	Calculated Property
η	0.0000899	Pa×s	698.55	Calculated Property
η	0.0000749	Pa×s	728.07	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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