Chemical Properties of Pimelic acid, 2-methoxyphenyl pentyl ester

InChI

InChI=1S/C19H28O5/c1-3-4-10-15-23-18(20)13-6-5-7-14-19(21)24-17-12-9-8-11-16(17)22-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3

InChI Key

XPFFDDRXYLQGQS-UHFFFAOYSA-N

Formula

C19H28O5

SMILES

CCCCCOC(=O)CCCCCC(=O)Oc1ccccc1OC

Molecular Weight¹

336.42

• 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).
• 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, Ionization energy 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	[401.92; 912.71]	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			4.23290e+01
Coefficient B			1.49764e+00
Coefficient C			-6.73760e-04
Coefficient D			4.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	401.92	J/mol×K	273.00	Calculated Property
Cp,gas	489.89	J/mol×K	353.78	Calculated Property
Cp,gas	569.72	J/mol×K	434.56	Calculated Property
Cp,gas	641.55	J/mol×K	515.33	Calculated Property
Cp,gas	705.52	J/mol×K	596.11	Calculated Property
Cp,gas	761.78	J/mol×K	676.89	Calculated Property
Cp,gas	810.49	J/mol×K	757.67	Calculated Property
Cp,gas	851.78	J/mol×K	838.44	Calculated Property
Cp,gas	885.80	J/mol×K	919.22	Calculated Property
Cp,gas	912.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006883; 0.0000642]	Pa×s	[449.72; 700.08]	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			-1.39146e+01
Coefficient B			2.98317e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			449.72
Temperature range, max.			700.08
η	0.0006883	Pa×s	449.72	Calculated Property
η	0.0004677	Pa×s	477.54	Calculated Property
η	0.0003316	Pa×s	505.36	Calculated Property
η	0.0002437	Pa×s	533.17	Calculated Property
η	0.0001847	Pa×s	560.99	Calculated Property
η	0.0001436	Pa×s	588.81	Calculated Property
η	0.0001143	Pa×s	616.63	Calculated Property
η	0.0000928	Pa×s	644.44	Calculated Property
η	0.0000766	Pa×s	672.26	Calculated Property
η	0.0000642	Pa×s	700.08	Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 2-methoxyphenyl pentyl ester.

Sources

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

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