Chemical Properties of Diethylmalonic acid, 2-ethylphenyl hexadecyl ester

InChI

InChI=1S/C31H52O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-29(32)31(7-3,8-4)30(33)35-28-25-22-21-24-27(28)6-2/h21-22,24-25H,5-20,23,26H2,1-4H3

InChI Key

DBLDRRHEQBZXGH-UHFFFAOYSA-N

Formula

C31H52O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC

Molecular Weight¹

488.74

• 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	[639.62; 1514.77]	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			-1.85520e+01
Coefficient B			2.82668e+00
Coefficient C			-1.60936e-03
Coefficient D			3.16000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	639.62	J/mol×K	273.00	Calculated Property
Cp,gas	794.03	J/mol×K	353.78	Calculated Property
Cp,gas	931.82	J/mol×K	434.56	Calculated Property
Cp,gas	1053.98	J/mol×K	515.33	Calculated Property
Cp,gas	1161.52	J/mol×K	596.11	Calculated Property
Cp,gas	1255.42	J/mol×K	676.89	Calculated Property
Cp,gas	1336.70	J/mol×K	757.67	Calculated Property
Cp,gas	1406.36	J/mol×K	838.44	Calculated Property
Cp,gas	1465.38	J/mol×K	919.22	Calculated Property
Cp,gas	1514.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001860; 0.0000109]	Pa×s	[565.15; 909.91]	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			-1.60771e+01
Coefficient B			4.23154e+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.			565.15
Temperature range, max.			909.91
η	0.0001860	Pa×s	565.15	Calculated Property
η	0.0001156	Pa×s	603.46	Calculated Property
η	0.0000761	Pa×s	641.76	Calculated Property
η	0.0000525	Pa×s	680.07	Calculated Property
η	0.0000377	Pa×s	718.38	Calculated Property
η	0.0000280	Pa×s	756.68	Calculated Property
η	0.0000214	Pa×s	794.99	Calculated Property
η	0.0000167	Pa×s	833.29	Calculated Property
η	0.0000134	Pa×s	871.60	Calculated Property
η	0.0000109	Pa×s	909.91	Calculated Property

Similar Compounds

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

Sources

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

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