Chemical Properties of Diethylmalonic acid, 4-methoxyphenyl pentyl ester

InChI

InChI=1S/C19H28O5/c1-5-8-9-14-23-17(20)19(6-2,7-3)18(21)24-16-12-10-15(22-4)11-13-16/h10-13H,5-9,14H2,1-4H3

InChI Key

HYJLDSHQDNONFY-UHFFFAOYSA-N

Formula

C19H28O5

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(OC)cc1

Molecular Weight¹

336.42

• 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	[400.46; 914.18]	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			1.78560e+01
Coefficient B			1.62348e+00
Coefficient C			-8.45560e-04
Coefficient D			1.18400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.46	J/mol×K	273.00	Calculated Property
Cp,gas	491.62	J/mol×K	353.78	Calculated Property
Cp,gas	573.39	J/mol×K	434.56	Calculated Property
Cp,gas	646.14	J/mol×K	515.33	Calculated Property
Cp,gas	710.24	J/mol×K	596.11	Calculated Property
Cp,gas	766.07	J/mol×K	676.89	Calculated Property
Cp,gas	814.01	J/mol×K	757.67	Calculated Property
Cp,gas	854.42	J/mol×K	838.44	Calculated Property
Cp,gas	887.69	J/mol×K	919.22	Calculated Property
Cp,gas	914.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006630; 0.0000525]	Pa×s	[452.14; 701.86]	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			-1.44486e+01
Coefficient B			3.22371e+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.			452.14
Temperature range, max.			701.86
η	0.0006630	Pa×s	452.14	Calculated Property
η	0.0004390	Pa×s	479.89	Calculated Property
η	0.0003041	Pa×s	507.63	Calculated Property
η	0.0002188	Pa×s	535.38	Calculated Property
η	0.0001626	Pa×s	563.13	Calculated Property
η	0.0001243	Pa×s	590.87	Calculated Property
η	0.0000973	Pa×s	618.62	Calculated Property
η	0.0000778	Pa×s	646.37	Calculated Property
η	0.0000634	Pa×s	674.11	Calculated Property
η	0.0000525	Pa×s	701.86	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-methoxyphenyl pentyl ester.

Sources

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

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