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

InChI

InChI=1S/C25H38O5/c1-5-6-7-8-9-18-29-23(26)25(2,3)24(27)30-22-16-12-20(13-17-22)19-10-14-21(28-4)15-11-19/h10-11,14-15,20,22H,5-9,12-13,16-18H2,1-4H3

InChI Key

UNQHJXAURLXHEY-UHFFFAOYSA-N

Formula

C25H38O5

SMILES

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

Molecular Weight¹

418.57

• 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	[491.89; 1215.46]	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			-4.72640e+01
Coefficient B			2.28908e+00
Coefficient C			-1.19756e-03
Coefficient D			1.71200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	491.89	J/mol×K	273.00	Calculated Property
Cp,gas	620.26	J/mol×K	353.78	Calculated Property
Cp,gas	735.37	J/mol×K	434.56	Calculated Property
Cp,gas	837.77	J/mol×K	515.33	Calculated Property
Cp,gas	928.00	J/mol×K	596.11	Calculated Property
Cp,gas	1006.59	J/mol×K	676.89	Calculated Property
Cp,gas	1074.09	J/mol×K	757.67	Calculated Property
Cp,gas	1131.04	J/mol×K	838.44	Calculated Property
Cp,gas	1177.98	J/mol×K	919.22	Calculated Property
Cp,gas	1215.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003668; 0.0000286]	Pa×s	[522.90; 821.92]	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			-1.49201e+01
Coefficient B			3.66525e+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.			522.90
Temperature range, max.			821.92
η	0.0003668	Pa×s	522.90	Calculated Property
η	0.0002413	Pa×s	556.12	Calculated Property
η	0.0001664	Pa×s	589.35	Calculated Property
η	0.0001194	Pa×s	622.57	Calculated Property
η	0.0000886	Pa×s	655.80	Calculated Property
η	0.0000677	Pa×s	689.02	Calculated Property
η	0.0000530	Pa×s	722.25	Calculated Property
η	0.0000424	Pa×s	755.47	Calculated Property
η	0.0000346	Pa×s	788.70	Calculated Property
η	0.0000286	Pa×s	821.92	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, heptyl 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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