Chemical Properties of Diethylmalonic acid, 2-naphthyl nonyl ester

InChI

InChI=1S/C26H36O4/c1-4-7-8-9-10-11-14-19-29-24(27)26(5-2,6-3)25(28)30-23-18-17-21-15-12-13-16-22(21)20-23/h12-13,15-18,20H,4-11,14,19H2,1-3H3

InChI Key

JZFRISBRKLQZSZ-UHFFFAOYSA-N

Formula

C26H36O4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

412.57

• 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	[492.55; 1166.03]	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			-4.54500e+01
Coefficient B			2.34796e+00
Coefficient C			-1.47408e-03
Coefficient D			3.37600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	492.55	J/mol×K	273.00	Calculated Property
Cp,gas	615.66	J/mol×K	353.78	Calculated Property
Cp,gas	724.21	J/mol×K	434.56	Calculated Property
Cp,gas	819.27	J/mol×K	515.33	Calculated Property
Cp,gas	901.90	J/mol×K	596.11	Calculated Property
Cp,gas	973.17	J/mol×K	676.89	Calculated Property
Cp,gas	1034.15	J/mol×K	757.67	Calculated Property
Cp,gas	1085.91	J/mol×K	838.44	Calculated Property
Cp,gas	1129.51	J/mol×K	919.22	Calculated Property
Cp,gas	1166.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004377; 0.0000490]	Pa×s	[541.50; 823.61]	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			-1.41296e+01
Coefficient B			3.46318e+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.			541.50
Temperature range, max.			823.61
η	0.0004377	Pa×s	541.50	Calculated Property
η	0.0003084	Pa×s	572.85	Calculated Property
η	0.0002254	Pa×s	604.19	Calculated Property
η	0.0001699	Pa×s	635.54	Calculated Property
η	0.0001315	Pa×s	666.88	Calculated Property
η	0.0001042	Pa×s	698.23	Calculated Property
η	0.0000842	Pa×s	729.57	Calculated Property
η	0.0000692	Pa×s	760.92	Calculated Property
η	0.0000578	Pa×s	792.26	Calculated Property
η	0.0000490	Pa×s	823.61	Calculated Property

Similar Compounds

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

Sources

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

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