Chemical Properties of Diethylmalonic acid, octadecyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C33H64O4/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-36-30(34)33(9-2,10-3)31(35)37-28-29(4)27-32(5,6)7/h29H,8-28H2,1-7H3

InChI Key

HZJKCUQCXRQNBD-UHFFFAOYSA-N

Formula

C33H64O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

524.87

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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 Pressure, Critical Volume, 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	[734.98; 1741.52]	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			-2.69190e+01
Coefficient B			3.28684e+00
Coefficient C			-1.92900e-03
Coefficient D			4.10600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	734.98	J/mol×K	273.00	Calculated Property
Cp,gas	912.64	J/mol×K	353.78	Calculated Property
Cp,gas	1070.82	J/mol×K	434.56	Calculated Property
Cp,gas	1210.81	J/mol×K	515.33	Calculated Property
Cp,gas	1333.91	J/mol×K	596.11	Calculated Property
Cp,gas	1441.42	J/mol×K	676.89	Calculated Property
Cp,gas	1534.64	J/mol×K	757.67	Calculated Property
Cp,gas	1614.86	J/mol×K	838.44	Calculated Property
Cp,gas	1683.39	J/mol×K	919.22	Calculated Property
Cp,gas	1741.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002063; 0.0000049]	Pa×s	[536.17; 934.13]	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			-1.72818e+01
Coefficient B			4.71606e+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.			536.17
Temperature range, max.			934.13
η	0.0002063	Pa×s	536.17	Calculated Property
η	0.0001056	Pa×s	580.39	Calculated Property
η	0.0000594	Pa×s	624.60	Calculated Property
η	0.0000361	Pa×s	668.82	Calculated Property
η	0.0000233	Pa×s	713.04	Calculated Property
η	0.0000158	Pa×s	757.26	Calculated Property
η	0.0000112	Pa×s	801.47	Calculated Property
η	0.0000083	Pa×s	845.69	Calculated Property
η	0.0000063	Pa×s	889.91	Calculated Property
η	0.0000049	Pa×s	934.13	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, octadecyl 2,4,4-trimethylpentyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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