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

InChI

InChI=1S/C27H42O5/c1-5-6-7-8-9-10-11-20-31-25(28)27(2,3)26(29)32-24-18-14-22(15-19-24)21-12-16-23(30-4)17-13-21/h12-13,16-17,22,24H,5-11,14-15,18-20H2,1-4H3

InChI Key

ISIYULXCEQSXKG-UHFFFAOYSA-N

Formula

C27H42O5

SMILES

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

Molecular Weight¹

446.63

• 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	[534.31; 1318.64]	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			-4.90820e+01
Coefficient B			2.47908e+00
Coefficient C			-1.30636e-03
Coefficient D			1.95000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	534.31	J/mol×K	273.00	Calculated Property
Cp,gas	673.09	J/mol×K	353.78	Calculated Property
Cp,gas	797.53	J/mol×K	434.56	Calculated Property
Cp,gas	908.23	J/mol×K	515.33	Calculated Property
Cp,gas	1005.82	J/mol×K	596.11	Calculated Property
Cp,gas	1090.91	J/mol×K	676.89	Calculated Property
Cp,gas	1164.12	J/mol×K	757.67	Calculated Property
Cp,gas	1226.07	J/mol×K	838.44	Calculated Property
Cp,gas	1277.37	J/mol×K	919.22	Calculated Property
Cp,gas	1318.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002779; 0.0000212]	Pa×s	[545.44; 857.50]	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			-1.52533e+01
Coefficient B			3.85357e+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.			545.44
Temperature range, max.			857.50
η	0.0002779	Pa×s	545.44	Calculated Property
η	0.0001822	Pa×s	580.11	Calculated Property
η	0.0001253	Pa×s	614.79	Calculated Property
η	0.0000896	Pa×s	649.46	Calculated Property
η	0.0000664	Pa×s	684.13	Calculated Property
η	0.0000506	Pa×s	718.81	Calculated Property
η	0.0000395	Pa×s	753.48	Calculated Property
η	0.0000316	Pa×s	788.15	Calculated Property
η	0.0000257	Pa×s	822.83	Calculated Property
η	0.0000212	Pa×s	857.50	Calculated Property

Similar Compounds

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