Chemical Properties of Diethylmalonic acid, 2-naphthyl octyl ester

InChI

InChI=1S/C25H34O4/c1-4-7-8-9-10-13-18-28-23(26)25(5-2,6-3)24(27)29-22-17-16-20-14-11-12-15-21(20)19-22/h11-12,14-17,19H,4-10,13,18H2,1-3H3

InChI Key

SSNNGFMNQKLFSN-UHFFFAOYSA-N

Formula

C25H34O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

398.54

• 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	[471.34; 1114.44]	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			-4.45410e+01
Coefficient B			2.25296e+00
Coefficient C			-1.41968e-03
Coefficient D			3.25700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	471.34	J/mol×K	273.00	Calculated Property
Cp,gas	589.24	J/mol×K	353.78	Calculated Property
Cp,gas	693.13	J/mol×K	434.56	Calculated Property
Cp,gas	784.04	J/mol×K	515.33	Calculated Property
Cp,gas	862.98	J/mol×K	596.11	Calculated Property
Cp,gas	931.01	J/mol×K	676.89	Calculated Property
Cp,gas	989.13	J/mol×K	757.67	Calculated Property
Cp,gas	1038.39	J/mol×K	838.44	Calculated Property
Cp,gas	1079.82	J/mol×K	919.22	Calculated Property
Cp,gas	1114.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004948; 0.0000562]	Pa×s	[530.23; 806.09]	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			-1.39652e+01
Coefficient B			3.36902e+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.			530.23
Temperature range, max.			806.09
η	0.0004948	Pa×s	530.23	Calculated Property
η	0.0003497	Pa×s	560.88	Calculated Property
η	0.0002561	Pa×s	591.53	Calculated Property
η	0.0001935	Pa×s	622.18	Calculated Property
η	0.0001500	Pa×s	652.84	Calculated Property
η	0.0001190	Pa×s	683.49	Calculated Property
η	0.0000963	Pa×s	714.14	Calculated Property
η	0.0000793	Pa×s	744.79	Calculated Property
η	0.0000664	Pa×s	775.44	Calculated Property
η	0.0000562	Pa×s	806.09	Calculated Property

Similar Compounds

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

Sources

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

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