Chemical Properties of Dimethylmalonic acid, butyl 4-(4-methoxyphenyl)cyclohexyl ester

InChI

InChI=1S/C22H32O5/c1-5-6-15-26-20(23)22(2,3)21(24)27-19-13-9-17(10-14-19)16-7-11-18(25-4)12-8-16/h7-8,11-12,17,19H,5-6,9-10,13-15H2,1-4H3

InChI Key

SNADJYBKZGAIDL-UHFFFAOYSA-N

Formula

C22H32O5

SMILES

CCCCOC(=O)C(C)(C)C(=O)OC1CCC(c2ccc(OC)cc2)CC1

Molecular Weight¹

376.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[428.24; 1060.68]	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			-4.45370e+01
Coefficient B			2.00408e+00
Coefficient C			-1.03436e-03
Coefficient D			1.35500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	428.24	J/mol×K	273.00	Calculated Property
Cp,gas	541.00	J/mol×K	353.78	Calculated Property
Cp,gas	642.14	J/mol×K	434.56	Calculated Property
Cp,gas	732.08	J/mol×K	515.33	Calculated Property
Cp,gas	811.26	J/mol×K	596.11	Calculated Property
Cp,gas	880.10	J/mol×K	676.89	Calculated Property
Cp,gas	939.04	J/mol×K	757.67	Calculated Property
Cp,gas	988.49	J/mol×K	838.44	Calculated Property
Cp,gas	1028.90	J/mol×K	919.22	Calculated Property
Cp,gas	1060.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005461; 0.0000430]	Pa×s	[489.09; 773.08]	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			-1.44291e+01
Coefficient B			3.38277e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			489.09
Temperature range, max.			773.08
η	0.0005461	Pa×s	489.09	Calculated Property
η	0.0003591	Pa×s	520.64	Calculated Property
η	0.0002477	Pa×s	552.20	Calculated Property
η	0.0001779	Pa×s	583.75	Calculated Property
η	0.0001322	Pa×s	615.31	Calculated Property
η	0.0001011	Pa×s	646.86	Calculated Property
η	0.0000793	Pa×s	678.42	Calculated Property
η	0.0000635	Pa×s	709.97	Calculated Property
η	0.0000518	Pa×s	741.53	Calculated Property
η	0.0000430	Pa×s	773.08	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, butyl 4-(4-methoxyphenyl)cyclohexyl 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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