Chemical Properties of Diethylmalonic acid, 4-acetylphenyl nonyl ester

InChI

InChI=1S/C24H36O5/c1-5-8-9-10-11-12-13-18-28-22(26)24(6-2,7-3)23(27)29-21-16-14-20(15-17-21)19(4)25/h14-17H,5-13,18H2,1-4H3

InChI Key

USWHFHZUTLOROR-UHFFFAOYSA-N

Formula

C24H36O5

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

404.55

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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, Enthalpy of formation at standard conditions, 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	[492.05; 1142.65]	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			-4.83000e+00
Coefficient B			2.13368e+00
Coefficient C			-1.20986e-03
Coefficient D			2.23660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	492.05	J/mol×K	273.00	Calculated Property
Cp,gas	608.50	J/mol×K	353.78	Calculated Property
Cp,gas	712.26	J/mol×K	434.56	Calculated Property
Cp,gas	804.04	J/mol×K	515.33	Calculated Property
Cp,gas	884.54	J/mol×K	596.11	Calculated Property
Cp,gas	954.47	J/mol×K	676.89	Calculated Property
Cp,gas	1014.54	J/mol×K	757.67	Calculated Property
Cp,gas	1065.45	J/mol×K	838.44	Calculated Property
Cp,gas	1107.92	J/mol×K	919.22	Calculated Property
Cp,gas	1142.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003698; 0.0000327]	Pa×s	[536.19; 813.18]	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			-1.50242e+01
Coefficient B			3.81861e+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.			536.19
Temperature range, max.			813.18
η	0.0003698	Pa×s	536.19	Calculated Property
η	0.0002512	Pa×s	566.97	Calculated Property
η	0.0001776	Pa×s	597.74	Calculated Property
η	0.0001299	Pa×s	628.52	Calculated Property
η	0.0000978	Pa×s	659.29	Calculated Property
η	0.0000756	Pa×s	690.07	Calculated Property
η	0.0000597	Pa×s	720.85	Calculated Property
η	0.0000480	Pa×s	751.62	Calculated Property
η	0.0000393	Pa×s	782.40	Calculated Property
η	0.0000327	Pa×s	813.18	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl nonyl ester.

Sources

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

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