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

InChI

InChI=1S/C25H40O5/c1-3-4-5-6-7-11-19-29-24(26)15-12-16-25(27)30-21-18-23(17-20-28-2)22-13-9-8-10-14-22/h8-10,13-14,23H,3-7,11-12,15-21H2,1-2H3

InChI Key

LMZUTVUAALECAR-UHFFFAOYSA-N

Formula

C25H40O5

SMILES

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

Molecular Weight¹

420.59

• 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	[526.33; 1225.83]	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			2.08940e+01
Coefficient B			2.13304e+00
Coefficient C			-1.07040e-03
Coefficient D			1.42300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	526.33	J/mol×K	273.00	Calculated Property
Cp,gas	647.85	J/mol×K	353.78	Calculated Property
Cp,gas	757.36	J/mol×K	434.56	Calculated Property
Cp,gas	855.33	J/mol×K	515.33	Calculated Property
Cp,gas	942.20	J/mol×K	596.11	Calculated Property
Cp,gas	1018.42	J/mol×K	676.89	Calculated Property
Cp,gas	1084.45	J/mol×K	757.67	Calculated Property
Cp,gas	1140.72	J/mol×K	838.44	Calculated Property
Cp,gas	1187.70	J/mol×K	919.22	Calculated Property
Cp,gas	1225.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004584; 0.0000254]	Pa×s	[489.82; 802.77]	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			-1.51133e+01
Coefficient B			3.63721e+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.			489.82
Temperature range, max.			802.77
η	0.0004584	Pa×s	489.82	Calculated Property
η	0.0002802	Pa×s	524.59	Calculated Property
η	0.0001821	Pa×s	559.37	Calculated Property
η	0.0001245	Pa×s	594.14	Calculated Property
η	0.0000887	Pa×s	628.91	Calculated Property
η	0.0000655	Pa×s	663.68	Calculated Property
η	0.0000499	Pa×s	698.46	Calculated Property
η	0.0000390	Pa×s	733.23	Calculated Property
η	0.0000311	Pa×s	768.00	Calculated Property
η	0.0000254	Pa×s	802.77	Calculated Property

Similar Compounds

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

Sources

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

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