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

InChI

InChI=1S/C20H28O5/c1-5-24-18(21)20(2,3)19(22)25-17-12-8-15(9-13-17)14-6-10-16(23-4)11-7-14/h6-7,10-11,15,17H,5,8-9,12-13H2,1-4H3

InChI Key

QHDMLQSUPJZCDF-UHFFFAOYSA-N

Formula

C20H28O5

SMILES

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

Molecular Weight¹

348.43

• 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.
• 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, 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	[385.82; 957.50]	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			-4.27190e+01
Coefficient B			1.81408e+00
Coefficient C			-9.25560e-04
Coefficient D			1.11700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.82	J/mol×K	273.00	Calculated Property
Cp,gas	488.17	J/mol×K	353.78	Calculated Property
Cp,gas	579.98	J/mol×K	434.56	Calculated Property
Cp,gas	661.62	J/mol×K	515.33	Calculated Property
Cp,gas	733.44	J/mol×K	596.11	Calculated Property
Cp,gas	795.78	J/mol×K	676.89	Calculated Property
Cp,gas	849.01	J/mol×K	757.67	Calculated Property
Cp,gas	893.47	J/mol×K	838.44	Calculated Property
Cp,gas	929.51	J/mol×K	919.22	Calculated Property
Cp,gas	957.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007020; 0.0000549]	Pa×s	[466.55; 743.13]	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			-1.41085e+01
Coefficient B			3.19445e+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.			466.55
Temperature range, max.			743.13
η	0.0007020	Pa×s	466.55	Calculated Property
η	0.0004598	Pa×s	497.28	Calculated Property
η	0.0003164	Pa×s	528.01	Calculated Property
η	0.0002268	Pa×s	558.74	Calculated Property
η	0.0001684	Pa×s	589.47	Calculated Property
η	0.0001287	Pa×s	620.20	Calculated Property
η	0.0001009	Pa×s	650.93	Calculated Property
η	0.0000809	Pa×s	681.66	Calculated Property
η	0.0000661	Pa×s	712.39	Calculated Property
η	0.0000549	Pa×s	743.13	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, ethyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.