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

InChI

InChI=1S/C29H56O4/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-27(30)29(9-3,10-4)28(31)33-26(6)25(5)8-2/h25-26H,7-24H2,1-6H3

InChI Key

HDYGVBSYYXIRGZ-UHFFFAOYSA-N

Formula

C29H56O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(C)CC

Molecular Weight¹

468.75

• 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	[651.27; 1534.23]	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			-4.92000e-01
Coefficient B			2.78692e+00
Coefficient C			-1.54280e-03
Coefficient D			2.90600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	651.27	J/mol×K	273.00	Calculated Property
Cp,gas	805.23	J/mol×K	353.78	Calculated Property
Cp,gas	943.09	J/mol×K	434.56	Calculated Property
Cp,gas	1065.75	J/mol×K	515.33	Calculated Property
Cp,gas	1174.15	J/mol×K	596.11	Calculated Property
Cp,gas	1269.19	J/mol×K	676.89	Calculated Property
Cp,gas	1351.80	J/mol×K	757.67	Calculated Property
Cp,gas	1422.90	J/mol×K	838.44	Calculated Property
Cp,gas	1483.40	J/mol×K	919.22	Calculated Property
Cp,gas	1534.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005724; 0.0000125]	Pa×s	[473.67; 842.23]	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			-1.61989e+01
Coefficient B			4.13670e+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.			473.67
Temperature range, max.			842.23
η	0.0005724	Pa×s	473.67	Calculated Property
η	0.0002857	Pa×s	514.62	Calculated Property
η	0.0001580	Pa×s	555.57	Calculated Property
η	0.0000948	Pa×s	596.52	Calculated Property
η	0.0000607	Pa×s	637.47	Calculated Property
η	0.0000410	Pa×s	678.43	Calculated Property
η	0.0000290	Pa×s	719.38	Calculated Property
η	0.0000213	Pa×s	760.33	Calculated Property
η	0.0000161	Pa×s	801.28	Calculated Property
η	0.0000125	Pa×s	842.23	Calculated Property

Similar Compounds

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