Chemical Properties of Dimethylmalonic acid, cis-4-methylcyclohexyl hexadecyl ester

InChI

InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-26(29)28(3,4)27(30)32-25-21-19-24(2)20-22-25/h24-25H,5-23H2,1-4H3

InChI Key

FDWGPPHFZKPNCA-UHFFFAOYSA-N

Formula

C28H52O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

452.72

• 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	[594.83; 1473.30]	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			-5.58850e+01
Coefficient B			2.77568e+00
Coefficient C			-1.50760e-03
Coefficient D			2.61100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	594.83	J/mol×K	273.00	Calculated Property
Cp,gas	748.96	J/mol×K	353.78	Calculated Property
Cp,gas	887.04	J/mol×K	434.56	Calculated Property
Cp,gas	1009.88	J/mol×K	515.33	Calculated Property
Cp,gas	1118.31	J/mol×K	596.11	Calculated Property
Cp,gas	1213.17	J/mol×K	676.89	Calculated Property
Cp,gas	1295.27	J/mol×K	757.67	Calculated Property
Cp,gas	1365.44	J/mol×K	838.44	Calculated Property
Cp,gas	1424.51	J/mol×K	919.22	Calculated Property
Cp,gas	1473.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005495; 0.0000241]	Pa×s	[495.54; 830.48]	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			-1.52627e+01
Coefficient B			3.84348e+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.			495.54
Temperature range, max.			830.48
η	0.0005495	Pa×s	495.54	Calculated Property
η	0.0003196	Pa×s	532.76	Calculated Property
η	0.0001996	Pa×s	569.97	Calculated Property
η	0.0001320	Pa×s	607.19	Calculated Property
η	0.0000916	Pa×s	644.40	Calculated Property
η	0.0000661	Pa×s	681.62	Calculated Property
η	0.0000494	Pa×s	718.83	Calculated Property
η	0.0000380	Pa×s	756.05	Calculated Property
η	0.0000299	Pa×s	793.26	Calculated Property
η	0.0000241	Pa×s	830.48	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, cis-4-methylcyclohexyl hexadecyl 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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