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

InChI

InChI=1S/C26H40O5/c1-5-6-7-8-9-10-19-30-24(27)26(2,3)25(28)31-23-17-13-21(14-18-23)20-11-15-22(29-4)16-12-20/h11-12,15-16,21,23H,5-10,13-14,17-19H2,1-4H3

InChI Key

KPJMGEGBSKAEQQ-UHFFFAOYSA-N

Formula

C26H40O5

SMILES

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

Molecular Weight¹

432.59

• 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	[513.10; 1267.05]	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			-4.81730e+01
Coefficient B			2.38408e+00
Coefficient C			-1.25196e-03
Coefficient D			1.83100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	513.10	J/mol×K	273.00	Calculated Property
Cp,gas	646.68	J/mol×K	353.78	Calculated Property
Cp,gas	766.45	J/mol×K	434.56	Calculated Property
Cp,gas	873.00	J/mol×K	515.33	Calculated Property
Cp,gas	966.91	J/mol×K	596.11	Calculated Property
Cp,gas	1048.75	J/mol×K	676.89	Calculated Property
Cp,gas	1119.10	J/mol×K	757.67	Calculated Property
Cp,gas	1178.55	J/mol×K	838.44	Calculated Property
Cp,gas	1227.67	J/mol×K	919.22	Calculated Property
Cp,gas	1267.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003196; 0.0000247]	Pa×s	[534.17; 839.38]	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			-1.50862e+01
Coefficient B			3.75941e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			534.17
Temperature range, max.			839.38
η	0.0003196	Pa×s	534.17	Calculated Property
η	0.0002100	Pa×s	568.08	Calculated Property
η	0.0001446	Pa×s	602.00	Calculated Property
η	0.0001037	Pa×s	635.91	Calculated Property
η	0.0000769	Pa×s	669.82	Calculated Property
η	0.0000586	Pa×s	703.73	Calculated Property
η	0.0000459	Pa×s	737.65	Calculated Property
η	0.0000367	Pa×s	771.56	Calculated Property
η	0.0000299	Pa×s	805.47	Calculated Property
η	0.0000247	Pa×s	839.38	Calculated Property

Similar Compounds

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