Chemical Properties of Diethylmalonic acid, 2-ethylphenyl undecyl ester

InChI

InChI=1S/C26H42O4/c1-5-9-10-11-12-13-14-15-18-21-29-24(27)26(7-3,8-4)25(28)30-23-20-17-16-19-22(23)6-2/h16-17,19-20H,5-15,18,21H2,1-4H3

InChI Key

NZZILWTWPOZJDK-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC

Molecular Weight¹

418.61

• 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	[533.55; 1256.81]	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			-1.40070e+01
Coefficient B			2.35168e+00
Coefficient C			-1.33736e-03
Coefficient D			2.56500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	533.55	J/mol×K	273.00	Calculated Property
Cp,gas	661.94	J/mol×K	353.78	Calculated Property
Cp,gas	776.43	J/mol×K	434.56	Calculated Property
Cp,gas	877.84	J/mol×K	515.33	Calculated Property
Cp,gas	966.96	J/mol×K	596.11	Calculated Property
Cp,gas	1044.62	J/mol×K	676.89	Calculated Property
Cp,gas	1111.62	J/mol×K	757.67	Calculated Property
Cp,gas	1168.78	J/mol×K	838.44	Calculated Property
Cp,gas	1216.91	J/mol×K	919.22	Calculated Property
Cp,gas	1256.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003915; 0.0000258]	Pa×s	[508.80; 805.28]	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			-1.52370e+01
Coefficient B			3.76074e+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.			508.80
Temperature range, max.			805.28
η	0.0003915	Pa×s	508.80	Calculated Property
η	0.0002497	Pa×s	541.74	Calculated Property
η	0.0001678	Pa×s	574.68	Calculated Property
η	0.0001176	Pa×s	607.63	Calculated Property
η	0.0000856	Pa×s	640.57	Calculated Property
η	0.0000642	Pa×s	673.51	Calculated Property
η	0.0000495	Pa×s	706.45	Calculated Property
η	0.0000390	Pa×s	739.39	Calculated Property
η	0.0000314	Pa×s	772.33	Calculated Property
η	0.0000258	Pa×s	805.28	Calculated Property

Similar Compounds

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

Sources

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

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