Chemical Properties of Diethylmalonic acid, heptadecyl 3-methylbenzyl ester

InChI

InChI=1S/C32H54O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-35-30(33)32(6-2,7-3)31(34)36-27-29-24-22-23-28(4)26-29/h22-24,26H,5-21,25,27H2,1-4H3

InChI Key

IHBIHZPYXHRFCO-UHFFFAOYSA-N

Formula

C32H54O4

SMILES

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

Molecular Weight¹

502.77

• 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	[660.83; 1566.36]	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			-1.94610e+01
Coefficient B			2.92168e+00
Coefficient C			-1.66376e-03
Coefficient D			3.27900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	660.83	J/mol×K	273.00	Calculated Property
Cp,gas	820.45	J/mol×K	353.78	Calculated Property
Cp,gas	962.90	J/mol×K	434.56	Calculated Property
Cp,gas	1089.21	J/mol×K	515.33	Calculated Property
Cp,gas	1200.43	J/mol×K	596.11	Calculated Property
Cp,gas	1297.59	J/mol×K	676.89	Calculated Property
Cp,gas	1381.72	J/mol×K	757.67	Calculated Property
Cp,gas	1453.87	J/mol×K	838.44	Calculated Property
Cp,gas	1515.07	J/mol×K	919.22	Calculated Property
Cp,gas	1566.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001595; 0.0000090]	Pa×s	[576.42; 933.49]	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			-1.62478e+01
Coefficient B			4.32570e+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.			576.42
Temperature range, max.			933.49
η	0.0001595	Pa×s	576.42	Calculated Property
η	0.0000984	Pa×s	616.09	Calculated Property
η	0.0000643	Pa×s	655.77	Calculated Property
η	0.0000442	Pa×s	695.44	Calculated Property
η	0.0000316	Pa×s	735.12	Calculated Property
η	0.0000234	Pa×s	774.79	Calculated Property
η	0.0000178	Pa×s	814.47	Calculated Property
η	0.0000139	Pa×s	854.14	Calculated Property
η	0.0000111	Pa×s	893.81	Calculated Property
η	0.0000090	Pa×s	933.49	Calculated Property

Similar Compounds

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

Sources

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

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