Chemical Properties of Glutaric acid, ethyl 1-phenylpropyl ester

InChI

InChI=1S/C16H22O4/c1-3-14(13-9-6-5-7-10-13)20-16(18)12-8-11-15(17)19-4-2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3

InChI Key

LNLFMHRTUCNCDH-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

CCOC(=O)CCCC(=O)OC(CC)c1ccccc1

Molecular Weight¹

278.34

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[320.01; 743.01]	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			3.57500e+00
Coefficient B			1.34124e+00
Coefficient C			-6.91800e-04
Coefficient D			9.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.01	J/mol×K	273.00	Calculated Property
Cp,gas	395.48	J/mol×K	353.78	Calculated Property
Cp,gas	463.17	J/mol×K	434.56	Calculated Property
Cp,gas	523.36	J/mol×K	515.33	Calculated Property
Cp,gas	576.34	J/mol×K	596.11	Calculated Property
Cp,gas	622.39	J/mol×K	676.89	Calculated Property
Cp,gas	661.80	J/mol×K	757.67	Calculated Property
Cp,gas	694.85	J/mol×K	838.44	Calculated Property
Cp,gas	721.83	J/mol×K	919.22	Calculated Property
Cp,gas	743.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023261; 0.0001059]	Pa×s	[366.16; 635.72]	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			-1.33491e+01
Coefficient B			2.66768e+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.			366.16
Temperature range, max.			635.72
η	0.0023261	Pa×s	366.16	Calculated Property
η	0.0013408	Pa×s	396.11	Calculated Property
η	0.0008352	Pa×s	426.06	Calculated Property
η	0.0005536	Pa×s	456.01	Calculated Property
η	0.0003860	Pa×s	485.97	Calculated Property
η	0.0002807	Pa×s	515.92	Calculated Property
η	0.0002113	Pa×s	545.87	Calculated Property
η	0.0001639	Pa×s	575.82	Calculated Property
η	0.0001303	Pa×s	605.77	Calculated Property
η	0.0001059	Pa×s	635.72	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 1-phenylpropyl ester.

Sources

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

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