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

InChI

InChI=1S/C21H32O5/c1-3-4-15-25-20(22)11-8-12-21(23)26-17-14-19(13-16-24-2)18-9-6-5-7-10-18/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3

InChI Key

TWKGJBJUEOCOFQ-UHFFFAOYSA-N

Formula

C21H32O5

SMILES

CCCCOC(=O)CCCC(=O)OCCC(CCOC)c1ccccc1

Molecular Weight¹

364.48

• 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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[441.48; 1019.47]	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			2.45300e+01
Coefficient B			1.75304e+00
Coefficient C			-8.52800e-04
Coefficient D			9.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	441.48	J/mol×K	273.00	Calculated Property
Cp,gas	542.17	J/mol×K	353.78	Calculated Property
Cp,gas	633.05	J/mol×K	434.56	Calculated Property
Cp,gas	714.41	J/mol×K	515.33	Calculated Property
Cp,gas	786.56	J/mol×K	596.11	Calculated Property
Cp,gas	849.78	J/mol×K	676.89	Calculated Property
Cp,gas	904.38	J/mol×K	757.67	Calculated Property
Cp,gas	950.67	J/mol×K	838.44	Calculated Property
Cp,gas	988.93	J/mol×K	919.22	Calculated Property
Cp,gas	1019.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008014; 0.0000456]	Pa×s	[444.74; 730.12]	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			-1.44605e+01
Coefficient B			3.26057e+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.			444.74
Temperature range, max.			730.12
η	0.0008014	Pa×s	444.74	Calculated Property
η	0.0004920	Pa×s	476.45	Calculated Property
η	0.0003210	Pa×s	508.16	Calculated Property
η	0.0002202	Pa×s	539.87	Calculated Property
η	0.0001575	Pa×s	571.58	Calculated Property
η	0.0001167	Pa×s	603.29	Calculated Property
η	0.0000891	Pa×s	635.00	Calculated Property
η	0.0000698	Pa×s	666.70	Calculated Property
η	0.0000559	Pa×s	698.41	Calculated Property
η	0.0000456	Pa×s	730.12	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 5-methoxy-3-phenylpentyl ester.

Sources

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

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