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

InChI

InChI=1S/C23H34O5/c1-5-6-7-16-27-21(24)23(2,3)22(25)28-20-14-10-18(11-15-20)17-8-12-19(26-4)13-9-17/h8-9,12-13,18,20H,5-7,10-11,14-16H2,1-4H3

InChI Key

RONFBDJYLKNLSM-UHFFFAOYSA-N

Formula

C23H34O5

SMILES

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

Molecular Weight¹

390.51

• 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	[449.46; 1112.27]	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			-4.54460e+01
Coefficient B			2.09908e+00
Coefficient C			-1.08876e-03
Coefficient D			1.47400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	449.46	J/mol×K	273.00	Calculated Property
Cp,gas	567.42	J/mol×K	353.78	Calculated Property
Cp,gas	673.22	J/mol×K	434.56	Calculated Property
Cp,gas	767.31	J/mol×K	515.33	Calculated Property
Cp,gas	850.17	J/mol×K	596.11	Calculated Property
Cp,gas	922.27	J/mol×K	676.89	Calculated Property
Cp,gas	984.06	J/mol×K	757.67	Calculated Property
Cp,gas	1036.01	J/mol×K	838.44	Calculated Property
Cp,gas	1078.59	J/mol×K	919.22	Calculated Property
Cp,gas	1112.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004795; 0.0000378]	Pa×s	[500.36; 788.81]	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			-1.45915e+01
Coefficient B			3.47693e+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.			500.36
Temperature range, max.			788.81
η	0.0004795	Pa×s	500.36	Calculated Property
η	0.0003156	Pa×s	532.41	Calculated Property
η	0.0002178	Pa×s	564.46	Calculated Property
η	0.0001565	Pa×s	596.51	Calculated Property
η	0.0001162	Pa×s	628.56	Calculated Property
η	0.0000889	Pa×s	660.61	Calculated Property
η	0.0000697	Pa×s	692.66	Calculated Property
η	0.0000558	Pa×s	724.71	Calculated Property
η	0.0000455	Pa×s	756.76	Calculated Property
η	0.0000378	Pa×s	788.81	Calculated Property

Similar Compounds

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