Chemical Properties of Glutaric acid, butyl 4-methoxyphenyl ester

InChI

InChI=1S/C16H22O5/c1-3-4-12-20-15(17)6-5-7-16(18)21-14-10-8-13(19-2)9-11-14/h8-11H,3-7,12H2,1-2H3

InChI Key

BHPWLCHNGQRWBZ-UHFFFAOYSA-N

Formula

C16H22O5

SMILES

CCCCOC(=O)CCCC(=O)Oc1ccc(OC)cc1

Molecular Weight¹

294.34

• 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	[338.27; 757.94]	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			4.50560e+01
Coefficient B			1.21264e+00
Coefficient C			-5.10560e-04
Coefficient D			1.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	338.27	J/mol×K	273.00	Calculated Property
Cp,gas	410.64	J/mol×K	353.78	Calculated Property
Cp,gas	476.49	J/mol×K	434.56	Calculated Property
Cp,gas	535.86	J/mol×K	515.33	Calculated Property
Cp,gas	588.79	J/mol×K	596.11	Calculated Property
Cp,gas	635.30	J/mol×K	676.89	Calculated Property
Cp,gas	675.44	J/mol×K	757.67	Calculated Property
Cp,gas	709.23	J/mol×K	838.44	Calculated Property
Cp,gas	736.72	J/mol×K	919.22	Calculated Property
Cp,gas	757.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009512; 0.0000900]	Pa×s	[415.91; 653.09]	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			-1.34512e+01
Coefficient B			2.70069e+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.			415.91
Temperature range, max.			653.09
η	0.0009512	Pa×s	415.91	Calculated Property
η	0.0006460	Pa×s	442.26	Calculated Property
η	0.0004582	Pa×s	468.62	Calculated Property
η	0.0003372	Pa×s	494.97	Calculated Property
η	0.0002559	Pa×s	521.32	Calculated Property
η	0.0001994	Pa×s	547.67	Calculated Property
η	0.0001590	Pa×s	574.03	Calculated Property
η	0.0001294	Pa×s	600.38	Calculated Property
η	0.0001071	Pa×s	626.73	Calculated Property
η	0.0000900	Pa×s	653.09	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 4-methoxyphenyl ester.

Sources

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

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