Chemical Properties of Diethylmalonic acid, 3-methylbenzyl octadecyl ester

InChI

InChI=1S/C33H56O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-36-31(34)33(6-2,7-3)32(35)37-28-30-25-23-24-29(4)27-30/h23-25,27H,5-22,26,28H2,1-4H3

InChI Key

VMGZEHKIGZLICW-UHFFFAOYSA-N

Formula

C33H56O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(C)c1

Molecular Weight¹

516.81

• 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).
• IE : Ionization energy (eV).
• 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 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	[682.04; 1617.95]	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			-2.03700e+01
Coefficient B			3.01668e+00
Coefficient C			-1.71816e-03
Coefficient D			3.39800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	682.04	J/mol×K	273.00	Calculated Property
Cp,gas	846.87	J/mol×K	353.78	Calculated Property
Cp,gas	993.97	J/mol×K	434.56	Calculated Property
Cp,gas	1124.44	J/mol×K	515.33	Calculated Property
Cp,gas	1239.34	J/mol×K	596.11	Calculated Property
Cp,gas	1339.75	J/mol×K	676.89	Calculated Property
Cp,gas	1426.74	J/mol×K	757.67	Calculated Property
Cp,gas	1501.38	J/mol×K	838.44	Calculated Property
Cp,gas	1564.76	J/mol×K	919.22	Calculated Property
Cp,gas	1617.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001366; 0.0000075]	Pa×s	[587.69; 958.11]	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			-1.64193e+01
Coefficient B			4.41986e+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.			587.69
Temperature range, max.			958.11
η	0.0001366	Pa×s	587.69	Calculated Property
η	0.0000835	Pa×s	628.85	Calculated Property
η	0.0000542	Pa×s	670.01	Calculated Property
η	0.0000370	Pa×s	711.16	Calculated Property
η	0.0000263	Pa×s	752.32	Calculated Property
η	0.0000194	Pa×s	793.48	Calculated Property
η	0.0000148	Pa×s	834.64	Calculated Property
η	0.0000115	Pa×s	875.80	Calculated Property
η	0.0000092	Pa×s	916.96	Calculated Property
η	0.0000075	Pa×s	958.11	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-methylbenzyl octadecyl ester.

Sources

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

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