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

InChI

InChI=1S/C24H36O5/c1-5-6-7-8-17-28-22(25)24(2,3)23(26)29-21-15-11-19(12-16-21)18-9-13-20(27-4)14-10-18/h9-10,13-14,19,21H,5-8,11-12,15-17H2,1-4H3

InChI Key

GQNYYGJLAJXPJJ-UHFFFAOYSA-N

Formula

C24H36O5

SMILES

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

Molecular Weight¹

404.55

• 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

Property	Value	Unit	Source
ΔfusH°	46.99	kJ/mol	Joback Calculated Property
logPoct/wat	5.414		Crippen Calculated Property
McVol	335.150	ml/mol	McGowan Calculated Property
Inp	[3014.00; 3014.00]
Inp	3014.00		NIST
Inp	3014.00		NIST

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	[470.67; 1163.87]	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			-4.63550e+01
Coefficient B			2.19408e+00
Coefficient C			-1.14316e-03
Coefficient D			1.59300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	470.67	J/mol×K	273.00	Calculated Property
Cp,gas	593.84	J/mol×K	353.78	Calculated Property
Cp,gas	704.29	J/mol×K	434.56	Calculated Property
Cp,gas	802.54	J/mol×K	515.33	Calculated Property
Cp,gas	889.08	J/mol×K	596.11	Calculated Property
Cp,gas	964.43	J/mol×K	676.89	Calculated Property
Cp,gas	1029.07	J/mol×K	757.67	Calculated Property
Cp,gas	1083.52	J/mol×K	838.44	Calculated Property
Cp,gas	1128.29	J/mol×K	919.22	Calculated Property
Cp,gas	1163.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004199; 0.0000330]	Pa×s	[511.63; 805.08]	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			-1.47552e+01
Coefficient B			3.57109e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			511.63
Temperature range, max.			805.08
η	0.0004199	Pa×s	511.63	Calculated Property
η	0.0002764	Pa×s	544.24	Calculated Property
η	0.0001908	Pa×s	576.84	Calculated Property
η	0.0001370	Pa×s	609.45	Calculated Property
η	0.0001017	Pa×s	642.05	Calculated Property
η	0.0000777	Pa×s	674.66	Calculated Property
η	0.0000609	Pa×s	707.26	Calculated Property
η	0.0000488	Pa×s	739.87	Calculated Property
η	0.0000398	Pa×s	772.47	Calculated Property
η	0.0000330	Pa×s	805.08	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, hexyl 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.
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