Chemical Properties of Diethylmalonic acid, hexyl 2-naphthyl ester

InChI

InChI=1S/C23H30O4/c1-4-7-8-11-16-26-21(24)23(5-2,6-3)22(25)27-20-15-14-18-12-9-10-13-19(18)17-20/h9-10,12-15,17H,4-8,11,16H2,1-3H3

InChI Key

PLZUOACTSSPGHJ-UHFFFAOYSA-N

Formula

C23H30O4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

370.48

• 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_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, 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	[428.91; 1011.26]	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			-4.27230e+01
Coefficient B			2.06296e+00
Coefficient C			-1.31088e-03
Coefficient D			3.01900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	428.91	J/mol×K	273.00	Calculated Property
Cp,gas	536.41	J/mol×K	353.78	Calculated Property
Cp,gas	630.98	J/mol×K	434.56	Calculated Property
Cp,gas	713.58	J/mol×K	515.33	Calculated Property
Cp,gas	785.16	J/mol×K	596.11	Calculated Property
Cp,gas	846.68	J/mol×K	676.89	Calculated Property
Cp,gas	899.10	J/mol×K	757.67	Calculated Property
Cp,gas	943.37	J/mol×K	838.44	Calculated Property
Cp,gas	980.43	J/mol×K	919.22	Calculated Property
Cp,gas	1011.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006266; 0.0000730]	Pa×s	[507.69; 772.83]	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			-1.36402e+01
Coefficient B			3.18070e+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.			507.69
Temperature range, max.			772.83
η	0.0006266	Pa×s	507.69	Calculated Property
η	0.0004444	Pa×s	537.15	Calculated Property
η	0.0003266	Pa×s	566.61	Calculated Property
η	0.0002475	Pa×s	596.07	Calculated Property
η	0.0001925	Pa×s	625.53	Calculated Property
η	0.0001532	Pa×s	654.99	Calculated Property
η	0.0001243	Pa×s	684.45	Calculated Property
η	0.0001026	Pa×s	713.91	Calculated Property
η	0.0000860	Pa×s	743.37	Calculated Property
η	0.0000730	Pa×s	772.83	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexyl 2-naphthyl ester.

Sources

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

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