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

InChI

InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-13-21-31-26(28)17-14-18-27(29)32-23-20-25(19-22-30-2)24-15-11-10-12-16-24/h10-12,15-16,25H,3-9,13-14,17-23H2,1-2H3

InChI Key

LYEBXQLKHBXISI-UHFFFAOYSA-N

Formula

C27H44O5

SMILES

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

Molecular Weight¹

448.64

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[568.76; 1329.02]	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			1.90760e+01
Coefficient B			2.32304e+00
Coefficient C			-1.17920e-03
Coefficient D			1.66100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	568.76	J/mol×K	273.00	Calculated Property
Cp,gas	700.68	J/mol×K	353.78	Calculated Property
Cp,gas	819.52	J/mol×K	434.56	Calculated Property
Cp,gas	925.79	J/mol×K	515.33	Calculated Property
Cp,gas	1020.02	J/mol×K	596.11	Calculated Property
Cp,gas	1102.75	J/mol×K	676.89	Calculated Property
Cp,gas	1174.48	J/mol×K	757.67	Calculated Property
Cp,gas	1235.75	J/mol×K	838.44	Calculated Property
Cp,gas	1287.09	J/mol×K	919.22	Calculated Property
Cp,gas	1329.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003421; 0.0000183]	Pa×s	[512.36; 843.08]	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			-1.54468e+01
Coefficient B			3.82553e+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.			512.36
Temperature range, max.			843.08
η	0.0003421	Pa×s	512.36	Calculated Property
η	0.0002076	Pa×s	549.11	Calculated Property
η	0.0001341	Pa×s	585.85	Calculated Property
η	0.0000912	Pa×s	622.60	Calculated Property
η	0.0000648	Pa×s	659.34	Calculated Property
η	0.0000477	Pa×s	696.09	Calculated Property
η	0.0000362	Pa×s	732.84	Calculated Property
η	0.0000282	Pa×s	769.58	Calculated Property
η	0.0000225	Pa×s	806.33	Calculated Property
η	0.0000183	Pa×s	843.08	Calculated Property

Similar Compounds

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

Sources

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

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