Chemical Properties of Diethylmalonic acid, 3-methylpent-2-yl octadecyl ester

InChI

InChI=1S/C31H60O4/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-34-29(32)31(9-3,10-4)30(33)35-28(6)27(5)8-2/h27-28H,7-26H2,1-6H3

InChI Key

SGDZDPNGPOAUIP-UHFFFAOYSA-N

Formula

C31H60O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(C)CC

Molecular Weight¹

496.81

• 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	[693.69; 1637.41]	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			-2.31000e+00
Coefficient B			2.97692e+00
Coefficient C			-1.65160e-03
Coefficient D			3.14400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	693.69	J/mol×K	273.00	Calculated Property
Cp,gas	858.07	J/mol×K	353.78	Calculated Property
Cp,gas	1005.24	J/mol×K	434.56	Calculated Property
Cp,gas	1136.21	J/mol×K	515.33	Calculated Property
Cp,gas	1251.97	J/mol×K	596.11	Calculated Property
Cp,gas	1353.51	J/mol×K	676.89	Calculated Property
Cp,gas	1441.83	J/mol×K	757.67	Calculated Property
Cp,gas	1517.93	J/mol×K	838.44	Calculated Property
Cp,gas	1582.79	J/mol×K	919.22	Calculated Property
Cp,gas	1637.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004006; 0.0000085]	Pa×s	[496.21; 889.78]	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			-1.65388e+01
Coefficient B			4.32502e+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.			496.21
Temperature range, max.			889.78
η	0.0004006	Pa×s	496.21	Calculated Property
η	0.0001977	Pa×s	539.94	Calculated Property
η	0.0001085	Pa×s	583.67	Calculated Property
η	0.0000647	Pa×s	627.40	Calculated Property
η	0.0000413	Pa×s	671.13	Calculated Property
η	0.0000279	Pa×s	714.86	Calculated Property
η	0.0000197	Pa×s	758.59	Calculated Property
η	0.0000144	Pa×s	802.32	Calculated Property
η	0.0000109	Pa×s	846.05	Calculated Property
η	0.0000085	Pa×s	889.78	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-methylpent-2-yl octadecyl 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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