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

InChI

InChI=1S/C24H44O4/c1-5-6-7-8-9-10-11-12-13-14-19-27-22(25)24(3,4)23(26)28-21-17-15-20(2)16-18-21/h20-21H,5-19H2,1-4H3

InChI Key

IFRYRCWHZHPKLC-UHFFFAOYSA-N

Formula

C24H44O4

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

396.61

• 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	[509.97; 1266.93]	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			-5.22490e+01
Coefficient B			2.39568e+00
Coefficient C			-1.29000e-03
Coefficient D			2.13500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	509.97	J/mol×K	273.00	Calculated Property
Cp,gas	643.29	J/mol×K	353.78	Calculated Property
Cp,gas	762.73	J/mol×K	434.56	Calculated Property
Cp,gas	868.96	J/mol×K	515.33	Calculated Property
Cp,gas	962.67	J/mol×K	596.11	Calculated Property
Cp,gas	1044.52	J/mol×K	676.89	Calculated Property
Cp,gas	1115.20	J/mol×K	757.67	Calculated Property
Cp,gas	1175.38	J/mol×K	838.44	Calculated Property
Cp,gas	1225.73	J/mol×K	919.22	Calculated Property
Cp,gas	1266.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010049; 0.0000454]	Pa×s	[450.46; 753.81]	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			-1.45990e+01
Coefficient B			3.46684e+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.			450.46
Temperature range, max.			753.81
η	0.0010049	Pa×s	450.46	Calculated Property
η	0.0005881	Pa×s	484.17	Calculated Property
η	0.0003690	Pa×s	517.87	Calculated Property
η	0.0002451	Pa×s	551.58	Calculated Property
η	0.0001707	Pa×s	585.28	Calculated Property
η	0.0001236	Pa×s	618.99	Calculated Property
η	0.0000926	Pa×s	652.70	Calculated Property
η	0.0000713	Pa×s	686.40	Calculated Property
η	0.0000563	Pa×s	720.11	Calculated Property
η	0.0000454	Pa×s	753.81	Calculated Property

Similar Compounds

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