Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isobutyl 4-methoxyphenyl ester

InChI

InChI=1S/C19H26O5/c1-13(2)12-23-18(20)16-6-4-5-7-17(16)19(21)24-15-10-8-14(22-3)9-11-15/h8-11,13,16-17H,4-7,12H2,1-3H3

InChI Key

IHUPGFQLABEMFI-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

COc1ccc(OC(=O)C2CCCCC2C(=O)OCC(C)C)cc1

Molecular Weight¹

334.41

• 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	[365.75; 904.98]	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			-1.90190e+01
Coefficient B			1.59916e+00
Coefficient C			-7.02560e-04
Coefficient D			2.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	365.75	J/mol×K	273.00	Calculated Property
Cp,gas	460.01	J/mol×K	353.78	Calculated Property
Cp,gas	545.48	J/mol×K	434.56	Calculated Property
Cp,gas	622.25	J/mol×K	515.33	Calculated Property
Cp,gas	690.41	J/mol×K	596.11	Calculated Property
Cp,gas	750.03	J/mol×K	676.89	Calculated Property
Cp,gas	801.22	J/mol×K	757.67	Calculated Property
Cp,gas	844.05	J/mol×K	838.44	Calculated Property
Cp,gas	878.60	J/mol×K	919.22	Calculated Property
Cp,gas	904.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009750; 0.0000703]	Pa×s	[437.86; 726.66]	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			-1.35506e+01
Coefficient B			2.89757e+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.			437.86
Temperature range, max.			726.66
η	0.0009750	Pa×s	437.86	Calculated Property
η	0.0006205	Pa×s	469.95	Calculated Property
η	0.0004184	Pa×s	502.04	Calculated Property
η	0.0002958	Pa×s	534.13	Calculated Property
η	0.0002175	Pa×s	566.22	Calculated Property
η	0.0001653	Pa×s	598.31	Calculated Property
η	0.0001292	Pa×s	630.40	Calculated Property
η	0.0001034	Pa×s	662.49	Calculated Property
η	0.0000845	Pa×s	694.58	Calculated Property
η	0.0000703	Pa×s	726.66	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl 4-methoxyphenyl 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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