Chemical Properties of Diethylmalonic acid, 4-biphenyl hexyl ester

InChI

InChI=1S/C25H32O4/c1-4-7-8-12-19-28-23(26)25(5-2,6-3)24(27)29-22-17-15-21(16-18-22)20-13-10-9-11-14-20/h9-11,13-18H,4-8,12,19H2,1-3H3

InChI Key

PHVWOEKYNXPPMB-UHFFFAOYSA-N

Formula

C25H32O4

SMILES

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

Molecular Weight¹

396.53

• 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	[455.08; 1086.70]	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			-4.70030e+01
Coefficient B			2.17776e+00
Coefficient C			-1.31416e-03
Coefficient D			2.70100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	455.08	J/mol×K	273.00	Calculated Property
Cp,gas	570.92	J/mol×K	353.78	Calculated Property
Cp,gas	673.36	J/mol×K	434.56	Calculated Property
Cp,gas	763.23	J/mol×K	515.33	Calculated Property
Cp,gas	841.41	J/mol×K	596.11	Calculated Property
Cp,gas	908.75	J/mol×K	676.89	Calculated Property
Cp,gas	966.09	J/mol×K	757.67	Calculated Property
Cp,gas	1014.29	J/mol×K	838.44	Calculated Property
Cp,gas	1054.21	J/mol×K	919.22	Calculated Property
Cp,gas	1086.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003654; 0.0000292]	Pa×s	[523.95; 816.07]	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			-1.49763e+01
Coefficient B			3.70000e+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.			523.95
Temperature range, max.			816.07
η	0.0003654	Pa×s	523.95	Calculated Property
η	0.0002420	Pa×s	556.41	Calculated Property
η	0.0001678	Pa×s	588.86	Calculated Property
η	0.0001208	Pa×s	621.32	Calculated Property
η	0.0000899	Pa×s	653.78	Calculated Property
η	0.0000688	Pa×s	686.24	Calculated Property
η	0.0000539	Pa×s	718.69	Calculated Property
η	0.0000432	Pa×s	751.15	Calculated Property
η	0.0000352	Pa×s	783.61	Calculated Property
η	0.0000292	Pa×s	816.07	Calculated Property

Similar Compounds

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

Sources

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

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