Chemical Properties of Glutaric acid, isohexyl 5-methoxy-3-phenylpentyl ester

InChI

InChI=1S/C23H36O5/c1-19(2)9-8-16-27-22(24)12-7-13-23(25)28-18-15-21(14-17-26-3)20-10-5-4-6-11-20/h4-6,10-11,19,21H,7-9,12-18H2,1-3H3

InChI Key

ASLXNDLDXPUOHE-UHFFFAOYSA-N

Formula

C23H36O5

SMILES

COCCC(CCOC(=O)CCCC(=O)OCCCC(C)C)c1ccccc1

Molecular Weight¹

392.54

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, 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	[483.59; 1123.19]	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			2.10300e+01
Coefficient B			1.94896e+00
Coefficient C			-9.64800e-04
Coefficient D			1.18000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	483.59	J/mol×K	273.00	Calculated Property
Cp,gas	595.00	J/mol×K	353.78	Calculated Property
Cp,gas	695.45	J/mol×K	434.56	Calculated Property
Cp,gas	785.32	J/mol×K	515.33	Calculated Property
Cp,gas	864.98	J/mol×K	596.11	Calculated Property
Cp,gas	934.80	J/mol×K	676.89	Calculated Property
Cp,gas	995.16	J/mol×K	757.67	Calculated Property
Cp,gas	1046.43	J/mol×K	838.44	Calculated Property
Cp,gas	1088.98	J/mol×K	919.22	Calculated Property
Cp,gas	1123.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007398; 0.0000316]	Pa×s	[452.28; 765.51]	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			-1.49184e+01
Coefficient B			3.48671e+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.			452.28
Temperature range, max.			765.51
η	0.0007398	Pa×s	452.28	Calculated Property
η	0.0004264	Pa×s	487.08	Calculated Property
η	0.0002646	Pa×s	521.89	Calculated Property
η	0.0001742	Pa×s	556.69	Calculated Property
η	0.0001205	Pa×s	591.49	Calculated Property
η	0.0000869	Pa×s	626.30	Calculated Property
η	0.0000648	Pa×s	661.10	Calculated Property
η	0.0000498	Pa×s	695.90	Calculated Property
η	0.0000392	Pa×s	730.70	Calculated Property
η	0.0000316	Pa×s	765.51	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isohexyl 5-methoxy-3-phenylpentyl 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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