Chemical Properties of Diethylmalonic acid, 4-biphenyl heptyl ester

InChI

InChI=1S/C26H34O4/c1-4-7-8-9-13-20-29-24(27)26(5-2,6-3)25(28)30-23-18-16-22(17-19-23)21-14-11-10-12-15-21/h10-12,14-19H,4-9,13,20H2,1-3H3

InChI Key

DQDHEKWWONYPEK-UHFFFAOYSA-N

Formula

C26H34O4

SMILES

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

Molecular Weight¹

410.55

• 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	[476.29; 1138.29]	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			-4.79120e+01
Coefficient B			2.27276e+00
Coefficient C			-1.36856e-03
Coefficient D			2.82000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.29	J/mol×K	273.00	Calculated Property
Cp,gas	597.34	J/mol×K	353.78	Calculated Property
Cp,gas	704.43	J/mol×K	434.56	Calculated Property
Cp,gas	798.46	J/mol×K	515.33	Calculated Property
Cp,gas	880.33	J/mol×K	596.11	Calculated Property
Cp,gas	950.91	J/mol×K	676.89	Calculated Property
Cp,gas	1011.10	J/mol×K	757.67	Calculated Property
Cp,gas	1061.80	J/mol×K	838.44	Calculated Property
Cp,gas	1103.90	J/mol×K	919.22	Calculated Property
Cp,gas	1138.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003186; 0.0000253]	Pa×s	[535.22; 832.79]	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			-1.51405e+01
Coefficient B			3.79416e+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.			535.22
Temperature range, max.			832.79
η	0.0003186	Pa×s	535.22	Calculated Property
η	0.0002109	Pa×s	568.28	Calculated Property
η	0.0001461	Pa×s	601.35	Calculated Property
η	0.0001052	Pa×s	634.41	Calculated Property
η	0.0000782	Pa×s	667.48	Calculated Property
η	0.0000598	Pa×s	700.54	Calculated Property
η	0.0000469	Pa×s	733.60	Calculated Property
η	0.0000375	Pa×s	766.67	Calculated Property
η	0.0000305	Pa×s	799.73	Calculated Property
η	0.0000253	Pa×s	832.79	Calculated Property

Similar Compounds

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

Sources

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

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