Chemical Properties of Diethylmalonic acid, 4-biphenyl octyl ester

InChI

InChI=1S/C27H36O4/c1-4-7-8-9-10-14-21-30-25(28)27(5-2,6-3)26(29)31-24-19-17-23(18-20-24)22-15-12-11-13-16-22/h11-13,15-20H,4-10,14,21H2,1-3H3

InChI Key

ZKKRXORKZIHHGX-UHFFFAOYSA-N

Formula

C27H36O4

SMILES

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

Molecular Weight¹

424.58

• 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	[497.51; 1189.88]	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			-4.88210e+01
Coefficient B			2.36776e+00
Coefficient C			-1.42296e-03
Coefficient D			2.93900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	497.51	J/mol×K	273.00	Calculated Property
Cp,gas	623.76	J/mol×K	353.78	Calculated Property
Cp,gas	735.51	J/mol×K	434.56	Calculated Property
Cp,gas	833.69	J/mol×K	515.33	Calculated Property
Cp,gas	919.24	J/mol×K	596.11	Calculated Property
Cp,gas	993.07	J/mol×K	676.89	Calculated Property
Cp,gas	1056.12	J/mol×K	757.67	Calculated Property
Cp,gas	1109.32	J/mol×K	838.44	Calculated Property
Cp,gas	1153.60	J/mol×K	919.22	Calculated Property
Cp,gas	1189.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002772; 0.0000218]	Pa×s	[546.49; 850.15]	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			-1.53059e+01
Coefficient B			3.88832e+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.			546.49
Temperature range, max.			850.15
η	0.0002772	Pa×s	546.49	Calculated Property
η	0.0001833	Pa×s	580.23	Calculated Property
η	0.0001268	Pa×s	613.97	Calculated Property
η	0.0000912	Pa×s	647.71	Calculated Property
η	0.0000677	Pa×s	681.45	Calculated Property
η	0.0000517	Pa×s	715.19	Calculated Property
η	0.0000405	Pa×s	748.93	Calculated Property
η	0.0000324	Pa×s	782.67	Calculated Property
η	0.0000264	Pa×s	816.41	Calculated Property
η	0.0000218	Pa×s	850.15	Calculated Property

Similar Compounds

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

Sources

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

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