Chemical Properties of Diethylmalonic acid, 4-biphenyl pentyl ester

InChI

InChI=1S/C24H30O4/c1-4-7-11-18-27-22(25)24(5-2,6-3)23(26)28-21-16-14-20(15-17-21)19-12-9-8-10-13-19/h8-10,12-17H,4-7,11,18H2,1-3H3

InChI Key

LQNPOXNNVNMFJC-UHFFFAOYSA-N

Formula

C24H30O4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

382.50

• 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	[433.86; 1035.11]	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			-4.60940e+01
Coefficient B			2.08276e+00
Coefficient C			-1.25976e-03
Coefficient D			2.58200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	433.86	J/mol×K	273.00	Calculated Property
Cp,gas	544.50	J/mol×K	353.78	Calculated Property
Cp,gas	642.28	J/mol×K	434.56	Calculated Property
Cp,gas	728.01	J/mol×K	515.33	Calculated Property
Cp,gas	802.50	J/mol×K	596.11	Calculated Property
Cp,gas	866.59	J/mol×K	676.89	Calculated Property
Cp,gas	921.07	J/mol×K	757.67	Calculated Property
Cp,gas	966.77	J/mol×K	838.44	Calculated Property
Cp,gas	1004.51	J/mol×K	919.22	Calculated Property
Cp,gas	1035.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004180; 0.0000334]	Pa×s	[512.68; 799.92]	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			-1.48133e+01
Coefficient B			3.60584e+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.			512.68
Temperature range, max.			799.92
η	0.0004180	Pa×s	512.68	Calculated Property
η	0.0002768	Pa×s	544.60	Calculated Property
η	0.0001919	Pa×s	576.51	Calculated Property
η	0.0001382	Pa×s	608.43	Calculated Property
η	0.0001029	Pa×s	640.34	Calculated Property
η	0.0000787	Pa×s	672.26	Calculated Property
η	0.0000617	Pa×s	704.17	Calculated Property
η	0.0000494	Pa×s	736.09	Calculated Property
η	0.0000403	Pa×s	768.01	Calculated Property
η	0.0000334	Pa×s	799.92	Calculated Property

Similar Compounds

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

Sources

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

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