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

InChI

InChI=1S/C28H44O5/c1-5-6-7-8-9-10-11-12-21-32-26(29)28(2,3)27(30)33-25-19-15-23(16-20-25)22-13-17-24(31-4)18-14-22/h13-14,17-18,23,25H,5-12,15-16,19-21H2,1-4H3

InChI Key

FARJRDIZHIVRNG-UHFFFAOYSA-N

Formula

C28H44O5

SMILES

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

Molecular Weight¹

460.65

• 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°	57.35	kJ/mol	Joback Calculated Property
logPoct/wat	6.975		Crippen Calculated Property
McVol	391.510	ml/mol	McGowan Calculated Property
Inp	[3398.00; 3398.00]
Inp	3398.00		NIST
Inp	3398.00		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	[555.53; 1370.23]	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			-4.99910e+01
Coefficient B			2.57408e+00
Coefficient C			-1.36076e-03
Coefficient D			2.06900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	555.53	J/mol×K	273.00	Calculated Property
Cp,gas	699.51	J/mol×K	353.78	Calculated Property
Cp,gas	828.60	J/mol×K	434.56	Calculated Property
Cp,gas	943.46	J/mol×K	515.33	Calculated Property
Cp,gas	1044.73	J/mol×K	596.11	Calculated Property
Cp,gas	1133.07	J/mol×K	676.89	Calculated Property
Cp,gas	1209.14	J/mol×K	757.67	Calculated Property
Cp,gas	1273.58	J/mol×K	838.44	Calculated Property
Cp,gas	1327.06	J/mol×K	919.22	Calculated Property
Cp,gas	1370.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002411; 0.0000182]	Pa×s	[556.71; 876.32]	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			-1.54214e+01
Coefficient B			3.94773e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			556.71
Temperature range, max.			876.32
η	0.0002411	Pa×s	556.71	Calculated Property
η	0.0001576	Pa×s	592.22	Calculated Property
η	0.0001081	Pa×s	627.73	Calculated Property
η	0.0000772	Pa×s	663.25	Calculated Property
η	0.0000570	Pa×s	698.76	Calculated Property
η	0.0000434	Pa×s	734.27	Calculated Property
η	0.0000339	Pa×s	769.78	Calculated Property
η	0.0000270	Pa×s	805.30	Calculated Property
η	0.0000220	Pa×s	840.81	Calculated Property
η	0.0000182	Pa×s	876.32	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, decyl 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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