Chemical Properties of Diethylmalonic acid, 2-ethylphenyl octyl ester

InChI

InChI=1S/C23H36O4/c1-5-9-10-11-12-15-18-26-21(24)23(7-3,8-4)22(25)27-20-17-14-13-16-19(20)6-2/h13-14,16-17H,5-12,15,18H2,1-4H3

InChI Key

HFLDJFVHBYDAGH-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC

Molecular Weight¹

376.53

• 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).
• 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, Enthalpy of vaporization 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	[469.91; 1102.04]	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			-1.12800e+01
Coefficient B			2.06668e+00
Coefficient C			-1.17416e-03
Coefficient D			2.20800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	469.91	J/mol×K	273.00	Calculated Property
Cp,gas	582.69	J/mol×K	353.78	Calculated Property
Cp,gas	683.20	J/mol×K	434.56	Calculated Property
Cp,gas	772.15	J/mol×K	515.33	Calculated Property
Cp,gas	850.23	J/mol×K	596.11	Calculated Property
Cp,gas	918.14	J/mol×K	676.89	Calculated Property
Cp,gas	976.57	J/mol×K	757.67	Calculated Property
Cp,gas	1026.24	J/mol×K	838.44	Calculated Property
Cp,gas	1067.83	J/mol×K	919.22	Calculated Property
Cp,gas	1102.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005972; 0.0000405]	Pa×s	[474.99; 751.07]	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			-1.47460e+01
Coefficient B			3.47826e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			474.99
Temperature range, max.			751.07
η	0.0005972	Pa×s	474.99	Calculated Property
η	0.0003830	Pa×s	505.67	Calculated Property
η	0.0002584	Pa×s	536.34	Calculated Property
η	0.0001820	Pa×s	567.02	Calculated Property
η	0.0001328	Pa×s	597.69	Calculated Property
η	0.0001000	Pa×s	628.37	Calculated Property
η	0.0000773	Pa×s	659.04	Calculated Property
η	0.0000611	Pa×s	689.72	Calculated Property
η	0.0000493	Pa×s	720.39	Calculated Property
η	0.0000405	Pa×s	751.07	Calculated Property

Similar Compounds

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

Sources

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

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