Chemical Properties of Pimelic acid, 2-methylphenyl pentyl ester

InChI

InChI=1S/C19H28O4/c1-3-4-10-15-22-18(20)13-6-5-7-14-19(21)23-17-12-9-8-11-16(17)2/h8-9,11-12H,3-7,10,13-15H2,1-2H3

InChI Key

QAUVAJQYKHNVLZ-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCCCCOC(=O)CCCCCC(=O)Oc1ccccc1C

Molecular Weight¹

320.42

• 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).
• 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	[386.51; 894.21]	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			1.68290e+01
Coefficient B			1.56084e+00
Coefficient C			-7.84760e-04
Coefficient D			1.01300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.51	J/mol×K	273.00	Calculated Property
Cp,gas	475.29	J/mol×K	353.78	Calculated Property
Cp,gas	555.22	J/mol×K	434.56	Calculated Property
Cp,gas	626.64	J/mol×K	515.33	Calculated Property
Cp,gas	689.86	J/mol×K	596.11	Calculated Property
Cp,gas	745.20	J/mol×K	676.89	Calculated Property
Cp,gas	792.99	J/mol×K	757.67	Calculated Property
Cp,gas	833.54	J/mol×K	838.44	Calculated Property
Cp,gas	867.17	J/mol×K	919.22	Calculated Property
Cp,gas	894.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010234; 0.0000832]	Pa×s	[427.49; 683.95]	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			-1.35773e+01
Coefficient B			2.86108e+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.			427.49
Temperature range, max.			683.95
η	0.0010234	Pa×s	427.49	Calculated Property
η	0.0006736	Pa×s	455.99	Calculated Property
η	0.0004657	Pa×s	484.48	Calculated Property
η	0.0003355	Pa×s	512.98	Calculated Property
η	0.0002501	Pa×s	541.47	Calculated Property
η	0.0001921	Pa×s	569.97	Calculated Property
η	0.0001512	Pa×s	598.46	Calculated Property
η	0.0001217	Pa×s	626.96	Calculated Property
η	0.0000998	Pa×s	655.46	Calculated Property
η	0.0000832	Pa×s	683.95	Calculated Property

Similar Compounds

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

Sources

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

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